CAS 1515-14-6 | 2-Propanol, 1,1,1,3,3,3-hexafluoro-2-methyl- | CAS Number 1515-14-6

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1515-14-6 | 2-Propanol, 1,1,1,3,3,3-hexafluoro-2-methyl-

CAS No: 1515-14-6 Catalog No: AG001NDV MDL No:MFCD00039259

Product Description

Catalog Number:

AG001NDV

Chemical Name:

2-Propanol, 1,1,1,3,3,3-hexafluoro-2-methyl-

CAS Number:

1515-14-6

Molecular Formula:

C4H4F6O

Molecular Weight:

182.0644

MDL Number:

MFCD00039259

IUPAC Name:

1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol

InChI:

InChI=1S/C4H4F6O/c1-2(11,3(5,6)7)4(8,9)10/h11H,1H3

InChI Key:

FQDXJYBXPOMIBX-UHFFFAOYSA-N

SMILES:

CC(C(F)(F)F)(C(F)(F)F)O

EC Number:

216-155-4

Properties

Complexity:

130

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.017g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.065g/mol

Monoisotopic Mass:

182.017g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Bis(1,2-dimethoxyethane)-1κ(2)O,O';3κ(2)O,O'-tetra-kis-(μ-1,1,1,3,3,3-hexa-fluoro-2-methyl-propan-2-olato)-1:2κ(4)O:O;2:3κ(4)O:O-1,3-dilithium-2-magnesium.	Acta crystallographica. Section E, Structure reports online 20120801
Fluoroalcohols as novel buffer components for basic buffer solutions for liquid chromatography electrospray ionization mass spectrometry: retention mechanisms.	Journal of chromatography. A 20111111
Two fluoroalcohols as components of basic buffers for liquid chromatography electrospray ionization mass spectrometric determination of antibiotic residues.	The Analyst 20111107