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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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).