1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol

C15H13F3OS — CID 21179148

IUPAC1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol
SMILESOC(C(Sc1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H13F3OS/c16-15(17,18)14(19)13(11-7-3-1-4-8-11)20-12-9-5-2-6-10-12/h1-10,13-14,19H
InChIKeyMYKQKGDWURBLNR-UHFFFAOYSA-N
MW298.33 g/mol
LogP4.44
Rot. Bonds4

About 1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol

1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol (PubChem CID 21179148) has the molecular formula C15H13F3OS and a molecular weight of 298.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol
PubChem CID21179148
Molecular FormulaC15H13F3OS
Molecular Weight298.33 g/mol
Exact Mass298.06
IUPAC Name1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol
SMILESOC(C(Sc1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C15H13F3OS/c16-15(17,18)14(19)13(11-7-3-1-4-8-11)20-12-9-5-2-6-10-12/h1-10,13-14,19H
InChIKeyMYKQKGDWURBLNR-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 288472
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CID 283796
4-Fluoro-4'-(methylthio)benzhydrol
CID 2759039
[4-(Benzylsulfanyl)phenyl]methanol
CID 4349993
1-{4-[(Trifluoromethyl)sulfanyl]phenyl}ethan-1-ol
CID 63896063
2-(Phenylsulfonyl)-1-(4-(trifluoromethyl)phenyl)ethanol
CID 44437666
1-(1-Hydroxy-2-phenylethyl)sulfanyl-2-phenylethanol
CID 163195816
2-(Benzenesulfonyl)-1-(4-fluorophenyl)ethanol
CID 12920544
(2S,3S)-S-(2-Fluorophenyl) 2-fluoro-3-hydroxy-4-phenylbutanethioate
CID 102533791
7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol
CID 132820275
1-(4-Phenylsulfanylphenyl)ethanol
CID 238613

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol (CID 21179148) is 1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol is OC(C(Sc1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol?
The InChIKey is MYKQKGDWURBLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3OS/c16-15(17,18)14(19)13(11-7-3-1-4-8-11)20-12-9-5-2-6-10-12/h1-10,13-14,19H.
What are the key properties of 1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol?
1,1,1-trifluoro-3-phenyl-3-phenylsulfanylpropan-2-ol has a molecular weight of 298.33 g/mol, XLogP of 4.44, 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-3-phenyl-3-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 21179148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).