2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol

C27H22F2O2 — CID 10319715

IUPAC2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol
SMILESOC(c1ccc(-c2ccccc2)cc1)C(F)(F)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H22F2O2/c28-27(29,25(30)23-15-11-21(12-16-23)19-7-3-1-4-8-19)26(31)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,25-26,30-31H
InChIKeyJSAXRDDXMDPUED-UHFFFAOYSA-N
MW416.47 g/mol
LogP6.42
Rot. Bonds6

About 2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol

2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol (PubChem CID 10319715) has the molecular formula C27H22F2O2 and a molecular weight of 416.47 g/mol. Its IUPAC name is 2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol.

Molecular Properties

Compound Name2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol
PubChem CID10319715
Molecular FormulaC27H22F2O2
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Name2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol
SMILESOC(c1ccc(-c2ccccc2)cc1)C(F)(F)C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H22F2O2/c28-27(29,25(30)23-15-11-21(12-16-23)19-7-3-1-4-8-19)26(31)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,25-26,30-31H
InChIKeyJSAXRDDXMDPUED-UHFFFAOYSA-N
XLogP6.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
2,2-dimethyl-1-(4-phenylphenyl)butan-1-ol
CID 63426075
2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol
CID 166441435
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol
CID 11021882
(1S)-4,4,4-trifluoro-1-(4-phenylphenyl)butan-1-amine
CID 171228019
(1R)-2,2,2-trifluoro-1-[4-[3-(hydroxymethyl)phenyl]phenyl]ethanol
CID 59597035
(2S)-2-[4-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenyl]propanoic acid
CID 15941789
2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine
CID 43248519
3,3,3-trifluoro-2-(4-phenylphenyl)propan-1-amine
CID 121467476
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanol
CID 63895075

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol?
The IUPAC name of 2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol (CID 10319715) is 2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol.
What is the SMILES notation for 2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol?
The canonical SMILES for 2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol is OC(c1ccc(-c2ccccc2)cc1)C(F)(F)C(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol?
The InChIKey is JSAXRDDXMDPUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2O2/c28-27(29,25(30)23-15-11-21(12-16-23)19-7-3-1-4-8-19)26(31)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,25-26,30-31H.
What are the key properties of 2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol?
2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol has a molecular weight of 416.47 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol is sourced from PubChem (CID 10319715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).