[(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene

C10H9F3OS — CID 139248357

IUPAC[(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene
SMILESO=[S@@](C/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3OS/c11-10(12,13)15(14)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+/t15-/m0/s1
InChIKeyUUFLRNDFVQHBFA-SZTZYQKNSA-N
MW234.24 g/mol
LogP2.97
Rot. Bonds3

About [(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene

[(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene (PubChem CID 139248357) has the molecular formula C10H9F3OS and a molecular weight of 234.24 g/mol. Its IUPAC name is [(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene
PubChem CID139248357
Molecular FormulaC10H9F3OS
Molecular Weight234.24 g/mol
Exact Mass234.03
IUPAC Name[(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene
SMILESO=[S@@](C/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3OS/c11-10(12,13)15(14)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+/t15-/m0/s1
InChIKeyUUFLRNDFVQHBFA-SZTZYQKNSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-3-(trifluoromethylsulfinyl)prop-1-enyl]benzene
CID 122223151
3-(trichloromethylsulfinyl)prop-1-enylbenzene
CID 71350440
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
3-phenylprop-2-enyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 6614432
(E)-3-phenylprop-2-ene-1-sulfonyl fluoride
CID 87208395
(R)-2-methyl-N-[(E)-3-phenylprop-2-enyl]propane-2-sulfinamide
CID 56954375
[(E)-4,4-bis(trifluoromethylsulfonyl)but-1-enyl]benzene
CID 102192017
trifluoro-[(E)-3-phenylprop-2-enyl]boranuide
CID 101487088
(E)-5-phenylpent-4-enoic acid
CID 5370650
CID 140512150
CID 140512150
benzene;but-1-enylbenzene
CID 157481332
N-methyl-N-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfinylpropanamide
CID 75407096

Frequently Asked Questions

What is the IUPAC name of [(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene?
The IUPAC name of [(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene (CID 139248357) is [(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene is O=[S@@](C/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of [(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene?
The InChIKey is UUFLRNDFVQHBFA-SZTZYQKNSA-N. The full InChI is InChI=1S/C10H9F3OS/c11-10(12,13)15(14)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+/t15-/m0/s1.
What are the key properties of [(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene?
[(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene has a molecular weight of 234.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[(S)-trifluoromethylsulfinyl]prop-1-enyl]benzene is sourced from PubChem (CID 139248357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).