2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol

C14H11F3O3S — CID 19804799

IUPAC2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1F
InChIInChI=1S/C14H11F3O3S/c15-12-9-5-4-8-11(12)13(18)14(16,17)21(19,20)10-6-2-1-3-7-10/h1-9,13,18H
InChIKeyHBQZJJSKXXVTIW-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.93
Rot. Bonds4

About 2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol

2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol (PubChem CID 19804799) has the molecular formula C14H11F3O3S and a molecular weight of 316.30 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol
PubChem CID19804799
Molecular FormulaC14H11F3O3S
Molecular Weight316.30 g/mol
Exact Mass316.04
IUPAC Name2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol
SMILESO=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1F
InChIInChI=1S/C14H11F3O3S/c15-12-9-5-4-8-11(12)13(18)14(16,17)21(19,20)10-6-2-1-3-7-10/h1-9,13,18H
InChIKeyHBQZJJSKXXVTIW-UHFFFAOYSA-N
XLogP2.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol (CID 19804799) is 2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol is O=S(=O)(c1ccccc1)C(F)(F)C(O)c1ccccc1F.
What is the InChIKey of 2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol?
The InChIKey is HBQZJJSKXXVTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O3S/c15-12-9-5-4-8-11(12)13(18)14(16,17)21(19,20)10-6-2-1-3-7-10/h1-9,13,18H.
What are the key properties of 2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol?
2-(benzenesulfonyl)-2,2-difluoro-1-(2-fluorophenyl)ethanol has a molecular weight of 316.30 g/mol, XLogP of 2.93, 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-(2-fluorophenyl)ethanol is sourced from PubChem (CID 19804799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).