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Home > Fluorides > 131180-45-5
131180-45-5 | 2-Pyrrolidinemethanol, α,α-bis(4-fluorophenyl)-, (2S)-
CAS No: 131180-45-5 Catalog No: AG000VOC MDL No:MFCD08702733
Product Description
Catalog Number:
AG000VOC
Chemical Name:
2-Pyrrolidinemethanol, α,α-bis(4-fluorophenyl)-, (2S)-
CAS Number:
131180-45-5
Molecular Formula:
C17H17F2NO
Molecular Weight:
289.3198
MDL Number:
MFCD08702733
IUPAC Name:
bis(4-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
InChI:
InChI=1S/C17H17F2NO/c18-14-7-3-12(4-8-14)17(21,16-2-1-11-20-16)13-5-9-15(19)10-6-13/h3-10,16,20-21H,1-2,11H2/t16-/m0/s1
InChI Key:
MFOIELLUBQRIOJ-INIZCTEOSA-N
SMILES:
Fc1ccc(cc1)C(c1ccc(cc1)F)([C@@H]1CCCN1)O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
289.128g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.326g/mol
Monoisotopic Mass:
289.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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