2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol

C15H14F2O3S — CID 69277490

IUPAC2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol
SMILESCS(=O)(=O)c1ccc(-c2ccc(C(F)(F)CO)cc2)cc1
InChIInChI=1S/C15H14F2O3S/c1-21(19,20)14-8-4-12(5-9-14)11-2-6-13(7-3-11)15(16,17)10-18/h2-9,18H,10H2,1H3
InChIKeyJSAMQFLHFUVIOO-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.84
Rot. Bonds4

About 2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol

2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol (PubChem CID 69277490) has the molecular formula C15H14F2O3S and a molecular weight of 312.34 g/mol. Its IUPAC name is 2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol
PubChem CID69277490
Molecular FormulaC15H14F2O3S
Molecular Weight312.34 g/mol
Exact Mass312.06
IUPAC Name2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol
SMILESCS(=O)(=O)c1ccc(-c2ccc(C(F)(F)CO)cc2)cc1
InChIInChI=1S/C15H14F2O3S/c1-21(19,20)14-8-4-12(5-9-14)11-2-6-13(7-3-11)15(16,17)10-18/h2-9,18H,10H2,1H3
InChIKeyJSAMQFLHFUVIOO-UHFFFAOYSA-N
XLogP2.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Rac-1,1,1-trifluoro-2-(4-(phenylsulfonyl)phenyl)propan-2-ol
CID 52944762
Rac-1,1,1-trifluoro-2-(4-(2-fluorophenylsulfonyl)phenyl)propan-2-ol
CID 52941220
Rac-1,1,1-trifluoro-2-(4-(4-fluorophenylsulfonyl)phenyl)propan-2-ol
CID 52942397
6,6-Bis(4-fluorophenyl)-5-(4-methylsulfonylphenyl)hex-5-en-1-ol
CID 155568868
1-[2-(4-Hydroxymethylphenyl)cyclopenten-1-yl]-4-(methylsulfonyl)benzene
CID 10426661
5,5-Bis(4-fluorophenyl)-4-(4-methylsulfonylphenyl)pent-4-en-1-ol
CID 155519218
4-(4-Methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
CID 155541121
5-(4-Methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
CID 155552943
2,2-Difluoro-1-phenyl-2-phenylsulfonylethanol
CID 14291989
2-[4-(Methylsulfonyl)phenyl]-1-ethanol
CID 22988427
2-(Phenylsulfonyl)-1-(4-(trifluoromethyl)phenyl)ethanol
CID 44437666
2,2-Difluoro-1-(4-methylphenyl)-2-phenylsulfonylethanol
CID 14291991

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol?
The IUPAC name of 2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol (CID 69277490) is 2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol.
What is the SMILES notation for 2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol?
The canonical SMILES for 2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol is CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)CO)cc2)cc1.
What is the InChIKey of 2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol?
The InChIKey is JSAMQFLHFUVIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O3S/c1-21(19,20)14-8-4-12(5-9-14)11-2-6-13(7-3-11)15(16,17)10-18/h2-9,18H,10H2,1H3.
What are the key properties of 2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol?
2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol has a molecular weight of 312.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol is sourced from PubChem (CID 69277490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).