2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol

C15H14F2O3S — CID 134849150

IUPAC2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14F2O3S/c1-15(18,11-2-4-12(16)5-3-11)10-21(19,20)14-8-6-13(17)7-9-14/h2-9,18H,10H2,1H3
InChIKeyYYTXVFOXBRIQAL-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.65
Rot. Bonds4

About 2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol

2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol (PubChem CID 134849150) has the molecular formula C15H14F2O3S and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol
PubChem CID134849150
Molecular FormulaC15H14F2O3S
Molecular Weight312.34 g/mol
Exact Mass312.06
IUPAC Name2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H14F2O3S/c1-15(18,11-2-4-12(16)5-3-11)10-21(19,20)14-8-6-13(17)7-9-14/h2-9,18H,10H2,1H3
InChIKeyYYTXVFOXBRIQAL-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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
Rac-1,1,1-trifluoro-2-(4-(o-tolylsulfonyl)phenyl)propan-2-ol
CID 11515715
2-[4-(2-Chlorobenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941171
2-[4-(2-Ethylbenzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 52941221
Rac-2-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenylsulfonyl)benzonitrile
CID 52941278
Rac-2-(4-(2-cyclopropylphenylsulfonyl)phenyl)-1,1,1-trifluoropropan-2-ol
CID 52943645
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
US9771320, Example 10
CID 118212056
US9771320, Example 125
CID 118220706
1-(Benzylsulfonyl)-2-(4-methylphenyl)-2-propanol
CID 3571091

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol (CID 134849150) is 2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol is CC(O)(CS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol?
The InChIKey is YYTXVFOXBRIQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O3S/c1-15(18,11-2-4-12(16)5-3-11)10-21(19,20)14-8-6-13(17)7-9-14/h2-9,18H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol?
2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol has a molecular weight of 312.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpropan-2-ol is sourced from PubChem (CID 134849150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).