2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol

C14H12F2O3S — CID 14291989

IUPAC2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C14H12F2O3S/c15-14(16,13(17)11-7-3-1-4-8-11)20(18,19)12-9-5-2-6-10-12/h1-10,13,17H
InChIKeyDAKVMUMFLBUNBO-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.79
Rot. Bonds4

About 2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol

2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol (PubChem CID 14291989) has the molecular formula C14H12F2O3S and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol
PubChem CID14291989
Molecular FormulaC14H12F2O3S
Molecular Weight298.31 g/mol
Exact Mass298.05
IUPAC Name2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C14H12F2O3S/c15-14(16,13(17)11-7-3-1-4-8-11)20(18,19)12-9-5-2-6-10-12/h1-10,13,17H
InChIKeyDAKVMUMFLBUNBO-UHFFFAOYSA-N
XLogP2.79
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol
CID 118212096
(S,E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 11545423
(E)-1-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)ethanol
CID 21099378
Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
(E)-(2-(4-(4-fluorostyryl)phenylsulfonyl)phenyl)methanol
CID 11559695
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-1,1,1-trifluoro-2-(4-(phenylsulfonyl)phenyl)propan-2-ol
CID 52944762
Rac-2-(4-(2-tert-butylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52946104
Rac-1,1,1-trifluoro-2-(4-(2-(trifluoromethyl)phenylsulfonyl)phenyl)propan-2-ol
CID 52949732
(2-Methanesulfonylphenyl)methanol
CID 22050773
2-Methanesulfonyl-1-phenylethan-1-ol
CID 220240
(3-Methanesulfonylphenyl)methanol
CID 23549738

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol?
The IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol (CID 14291989) is 2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol?
The canonical SMILES for 2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol is O=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol?
The InChIKey is DAKVMUMFLBUNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O3S/c15-14(16,13(17)11-7-3-1-4-8-11)20(18,19)12-9-5-2-6-10-12/h1-10,13,17H.
What are the key properties of 2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol?
2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol has a molecular weight of 298.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2,2-difluoro-1-phenylethanol is sourced from PubChem (CID 14291989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).