(Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol

C16H13F3OS — CID 135036230

IUPAC(Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol
SMILESO/C(=C(/Cc1ccccc1)Sc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H13F3OS/c17-16(18,19)15(20)14(11-12-7-3-1-4-8-12)21-13-9-5-2-6-10-13/h1-10,20H,11H2/b15-14-
InChIKeyHMHBARFELCVRQW-PFONDFGASA-N
MW310.34 g/mol
LogP5.35
Rot. Bonds4

About (Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol

(Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol (PubChem CID 135036230) has the molecular formula C16H13F3OS and a molecular weight of 310.34 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol
PubChem CID135036230
Molecular FormulaC16H13F3OS
Molecular Weight310.34 g/mol
Exact Mass310.06
IUPAC Name(Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol
SMILESO/C(=C(/Cc1ccccc1)Sc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H13F3OS/c17-16(18,19)15(20)14(11-12-7-3-1-4-8-12)21-13-9-5-2-6-10-13/h1-10,20H,11H2/b15-14-
InChIKeyHMHBARFELCVRQW-PFONDFGASA-N
XLogP5.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.34
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 10707001
1,1'-Sulfanediylbis(4-(trifluoromethyl)benzene)
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[(E)-1-fluoro-4-phenylbut-1-enyl]sulfanylbenzene
CID 15156796
Di(m-trifluoromethylphenyl) sulfide
CID 10947222
[1,1-Bis(phenylthio)-2,2,2-trifluoroethyl]benzene
CID 11068839
1-(Phenylsulfanyl)-4-(trifluoromethyl)benzene
CID 13437102
Phenyl(3-(trifluoromethyl)phenyl)sulfane
CID 13974879
Di(o-trifluoromethylphenyl) sulfide
CID 22906579
1-(Phenylsulfanyl)-2-(trifluoromethyl)benzene
CID 42642737
[(E)-4-ethoxy-5,5,5-trifluoro-1-phenylpent-3-en-1-yn-3-yl]sulfanylbenzene
CID 10641442
[(E)-2,3,3,3-tetrafluoro-1-phenylprop-1-enyl]sulfanylbenzene
CID 10935397
(2,2-Difluoro-1-phenylethenyl)sulfanylbenzene
CID 11021243

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol?
The IUPAC name of (Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol (CID 135036230) is (Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol is O/C(=C(/Cc1ccccc1)Sc1ccccc1)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol?
The InChIKey is HMHBARFELCVRQW-PFONDFGASA-N. The full InChI is InChI=1S/C16H13F3OS/c17-16(18,19)15(20)14(11-12-7-3-1-4-8-12)21-13-9-5-2-6-10-13/h1-10,20H,11H2/b15-14-.
What are the key properties of (Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol?
(Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol has a molecular weight of 310.34 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-phenyl-3-phenylsulfanylbut-2-en-2-ol is sourced from PubChem (CID 135036230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).