1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol

C16H14F4O2S — CID 166447699

IUPAC1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol
SMILESCc1ccc(S(=O)CC(O)(c2ccc(F)cc2)C(F)(F)F)cc1
InChIInChI=1S/C16H14F4O2S/c1-11-2-8-14(9-3-11)23(22)10-15(21,16(18,19)20)12-4-6-13(17)7-5-12/h2-9,21H,10H2,1H3
InChIKeyOECOHCAFYCGAOD-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.69
Rot. Bonds4

About 1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol

1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol (PubChem CID 166447699) has the molecular formula C16H14F4O2S and a molecular weight of 346.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol
PubChem CID166447699
Molecular FormulaC16H14F4O2S
Molecular Weight346.35 g/mol
Exact Mass346.07
IUPAC Name1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol
SMILESCc1ccc(S(=O)CC(O)(c2ccc(F)cc2)C(F)(F)F)cc1
InChIInChI=1S/C16H14F4O2S/c1-11-2-8-14(9-3-11)23(22)10-15(21,16(18,19)20)12-4-6-13(17)7-5-12/h2-9,21H,10H2,1H3
InChIKeyOECOHCAFYCGAOD-UHFFFAOYSA-N
XLogP3.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol with MolForge

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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-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
Rac-1,1,1-trifluoro-2-(4-(2-fluorophenylsulfonyl)phenyl)propan-2-ol
CID 52941220
Rac-1,1,1-trifluoro-2-(4-(4-fluorophenylsulfonyl)phenyl)propan-2-ol
CID 52942397

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol (CID 166447699) is 1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol is Cc1ccc(S(=O)CC(O)(c2ccc(F)cc2)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol?
The InChIKey is OECOHCAFYCGAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4O2S/c1-11-2-8-14(9-3-11)23(22)10-15(21,16(18,19)20)12-4-6-13(17)7-5-12/h2-9,21H,10H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol?
1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol has a molecular weight of 346.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-fluorophenyl)-3-(4-methylphenyl)sulfinylpropan-2-ol is sourced from PubChem (CID 166447699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).