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Home > Fluorides > 1965290-28-1
1965290-28-1 | trans-2-[2-(Trifluoromethoxy)phenyl]cyclopentanol
CAS No: 1965290-28-1 Catalog No: AG01F9D5 MDL No:
Product Description
Catalog Number:
AG01F9D5
Chemical Name:
trans-2-[2-(Trifluoromethoxy)phenyl]cyclopentanol
CAS Number:
1965290-28-1
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
IUPAC Name:
(1R,2S)-2-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
InChI:
InChI=1S/C12H13F3O2/c13-12(14,15)17-11-7-2-1-4-9(11)8-5-3-6-10(8)16/h1-2,4,7-8,10,16H,3,5-6H2/t8-,10+/m0/s1
InChI Key:
YPKSFUFXVVOUTF-WCBMZHEXSA-N
SMILES:
O[C@@H]1CCC[C@H]1c1ccccc1OC(F)(F)F
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
246.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.229g/mol
Monoisotopic Mass:
246.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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