2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol

C15H14F2O3S — CID 19804765

IUPAC2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol
SMILESCc1ccccc1S(=O)(=O)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C15H14F2O3S/c1-11-7-5-6-10-13(11)21(19,20)15(16,17)14(18)12-8-3-2-4-9-12/h2-10,14,18H,1H3
InChIKeyBWCPKVKLNRMXSS-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.10
Rot. Bonds4

About 2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol

2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol (PubChem CID 19804765) has the molecular formula C15H14F2O3S and a molecular weight of 312.34 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol
PubChem CID19804765
Molecular FormulaC15H14F2O3S
Molecular Weight312.34 g/mol
Exact Mass312.06
IUPAC Name2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol
SMILESCc1ccccc1S(=O)(=O)C(F)(F)C(O)c1ccccc1
InChIInChI=1S/C15H14F2O3S/c1-11-7-5-6-10-13(11)21(19,20)15(16,17)14(18)12-8-3-2-4-9-12/h2-10,14,18H,1H3
InChIKeyBWCPKVKLNRMXSS-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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-(2-methylphenyl)sulfonyl-1-phenylethanol?
The IUPAC name of 2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol (CID 19804765) is 2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol.
What is the SMILES notation for 2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol?
The canonical SMILES for 2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol is Cc1ccccc1S(=O)(=O)C(F)(F)C(O)c1ccccc1.
What is the InChIKey of 2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol?
The InChIKey is BWCPKVKLNRMXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O3S/c1-11-7-5-6-10-13(11)21(19,20)15(16,17)14(18)12-8-3-2-4-9-12/h2-10,14,18H,1H3.
What are the key properties of 2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol?
2,2-difluoro-2-(2-methylphenyl)sulfonyl-1-phenylethanol has a molecular weight of 312.34 g/mol, XLogP of 3.10, 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-(2-methylphenyl)sulfonyl-1-phenylethanol is sourced from PubChem (CID 19804765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).