1,1-bis(4-fluorophenyl)propane-1,2-diol

C15H14F2O2 — CID 117062920

IUPAC1,1-bis(4-fluorophenyl)propane-1,2-diol
SMILESCC(O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14F2O2/c1-10(18)15(19,11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10,18-19H,1H3
InChIKeyMUTVIGJATWPOFN-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.58
Rot. Bonds3

About 1,1-bis(4-fluorophenyl)propane-1,2-diol

1,1-bis(4-fluorophenyl)propane-1,2-diol (PubChem CID 117062920) has the molecular formula C15H14F2O2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)propane-1,2-diol.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)propane-1,2-diol
PubChem CID117062920
Molecular FormulaC15H14F2O2
Molecular Weight264.27 g/mol
Exact Mass264.10
IUPAC Name1,1-bis(4-fluorophenyl)propane-1,2-diol
SMILESCC(O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14F2O2/c1-10(18)15(19,11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10,18-19H,1H3
InChIKeyMUTVIGJATWPOFN-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)propan-2-ol
CID 637733
(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
CID 139051380
(2S)-2-amino-1,1-bis(4-fluorophenyl)propane-1,3-diol
CID 71661659
[(2S)-1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] propanoate
CID 155110586
(R)-(4-tert-butylphenyl)-(4-fluorophenyl)methanol
CID 7146431
2-(4-fluorophenyl)-6-methylheptan-2-ol
CID 83158726
1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene
CID 143112976
[1,1-bis(4-fluorophenyl)-1-hydroxypropan-2-yl] 2-[bis(phosphanyl)amino]propanoate
CID 146533416
1-fluoro-4-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 22572271
2-(4-fluorophenyl)-2-hydroxypropanenitrile
CID 57349674
1-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62787435
3-(4-fluorophenyl)-3-hydroxy-4-methylpentanoic acid
CID 52983755

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)propane-1,2-diol?
The IUPAC name of 1,1-bis(4-fluorophenyl)propane-1,2-diol (CID 117062920) is 1,1-bis(4-fluorophenyl)propane-1,2-diol.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)propane-1,2-diol?
The canonical SMILES for 1,1-bis(4-fluorophenyl)propane-1,2-diol is CC(O)C(O)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1,1-bis(4-fluorophenyl)propane-1,2-diol?
The InChIKey is MUTVIGJATWPOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O2/c1-10(18)15(19,11-2-6-13(16)7-3-11)12-4-8-14(17)9-5-12/h2-10,18-19H,1H3.
What are the key properties of 1,1-bis(4-fluorophenyl)propane-1,2-diol?
1,1-bis(4-fluorophenyl)propane-1,2-diol has a molecular weight of 264.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)propane-1,2-diol is sourced from PubChem (CID 117062920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).