[(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene

C9H7F3OS — CID 134889626

IUPAC[(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene
SMILESO=[S@@](/C=C\C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H7F3OS/c10-9(11,12)6-7-14(13)8-4-2-1-3-5-8/h1-7H/b7-6-/t14-/m0/s1
InChIKeyUODUPLDJVVBBBW-AFNCTOJWSA-N
MW220.22 g/mol
LogP2.87
Rot. Bonds2

About [(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene

[(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene (PubChem CID 134889626) has the molecular formula C9H7F3OS and a molecular weight of 220.22 g/mol. Its IUPAC name is [(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene.

Molecular Properties

Compound Name[(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene
PubChem CID134889626
Molecular FormulaC9H7F3OS
Molecular Weight220.22 g/mol
Exact Mass220.02
IUPAC Name[(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene
SMILESO=[S@@](/C=C\C(F)(F)F)c1ccccc1
InChIInChI=1S/C9H7F3OS/c10-9(11,12)6-7-14(13)8-4-2-1-3-5-8/h1-7H/b7-6-/t14-/m0/s1
InChIKeyUODUPLDJVVBBBW-AFNCTOJWSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(E)-1-(benzenesulfinyl)-3,3-difluoropent-1-en-2-yl]-3,5-dichlorobenzene
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1-(3,3,3-trifluoroprop-1-enyl)-2-[2-(3,3,3-trifluoroprop-1-enyl)phenyl]sulfinylbenzene
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Frequently Asked Questions

What is the IUPAC name of [(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene?
The IUPAC name of [(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene (CID 134889626) is [(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene.
What is the SMILES notation for [(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene?
The canonical SMILES for [(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene is O=[S@@](/C=C\C(F)(F)F)c1ccccc1.
What is the InChIKey of [(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene?
The InChIKey is UODUPLDJVVBBBW-AFNCTOJWSA-N. The full InChI is InChI=1S/C9H7F3OS/c10-9(11,12)6-7-14(13)8-4-2-1-3-5-8/h1-7H/b7-6-/t14-/m0/s1.
What are the key properties of [(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene?
[(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene has a molecular weight of 220.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene is sourced from PubChem (CID 134889626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).