[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene

C9H7F3S — CID 13499150

IUPAC[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
SMILESFC(F)(F)/C=C/Sc1ccccc1
InChIInChI=1S/C9H7F3S/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyIDLBFALETWPANA-VOTSOKGWSA-N
MW204.22 g/mol
LogP3.85
Rot. Bonds2

About [(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene

[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene (PubChem CID 13499150) has the molecular formula C9H7F3S and a molecular weight of 204.22 g/mol. Its IUPAC name is [(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
PubChem CID13499150
Molecular FormulaC9H7F3S
Molecular Weight204.22 g/mol
Exact Mass204.02
IUPAC Name[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
SMILESFC(F)(F)/C=C/Sc1ccccc1
InChIInChI=1S/C9H7F3S/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyIDLBFALETWPANA-VOTSOKGWSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene?
The IUPAC name of [(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene (CID 13499150) is [(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene.
What is the SMILES notation for [(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene?
The canonical SMILES for [(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene is FC(F)(F)/C=C/Sc1ccccc1.
What is the InChIKey of [(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene?
The InChIKey is IDLBFALETWPANA-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H7F3S/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h1-7H/b7-6+.
What are the key properties of [(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene?
[(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene has a molecular weight of 204.22 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene is sourced from PubChem (CID 13499150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).