2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol

C20H22F2O — CID 166441435

IUPAC2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol
SMILESOC(c1ccc(-c2ccccc2)cc1)C(F)(F)C1CCCCC1
InChIInChI=1S/C20H22F2O/c21-20(22,18-9-5-2-6-10-18)19(23)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,18-19,23H,2,5-6,9-10H2
InChIKeyLHYPIHGMSABCCI-UHFFFAOYSA-N
MW316.39 g/mol
LogP5.60
Rot. Bonds4

About 2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol

2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol (PubChem CID 166441435) has the molecular formula C20H22F2O and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol.

Molecular Properties

Compound Name2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol
PubChem CID166441435
Molecular FormulaC20H22F2O
Molecular Weight316.39 g/mol
Exact Mass316.16
IUPAC Name2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol
SMILESOC(c1ccc(-c2ccccc2)cc1)C(F)(F)C1CCCCC1
InChIInChI=1S/C20H22F2O/c21-20(22,18-9-5-2-6-10-18)19(23)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,18-19,23H,2,5-6,9-10H2
InChIKeyLHYPIHGMSABCCI-UHFFFAOYSA-N
XLogP5.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.39
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol?
The IUPAC name of 2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol (CID 166441435) is 2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol.
What is the SMILES notation for 2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol?
The canonical SMILES for 2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol is OC(c1ccc(-c2ccccc2)cc1)C(F)(F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol?
The InChIKey is LHYPIHGMSABCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2O/c21-20(22,18-9-5-2-6-10-18)19(23)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,18-19,23H,2,5-6,9-10H2.
What are the key properties of 2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol?
2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol has a molecular weight of 316.39 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2,2-difluoro-1-(4-phenylphenyl)ethanol is sourced from PubChem (CID 166441435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).