3,3,3-trifluoroprop-1-enylsulfanylbenzene

C9H7F3S — CID 73014289

IUPAC3,3,3-trifluoroprop-1-enylsulfanylbenzene
SMILESFC(F)(F)C=CSc1ccccc1
InChIInChI=1S/C9H7F3S/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h1-7H
InChIKeyIDLBFALETWPANA-UHFFFAOYSA-N
MW204.22 g/mol
LogP3.85
Rot. Bonds2

About 3,3,3-trifluoroprop-1-enylsulfanylbenzene

3,3,3-trifluoroprop-1-enylsulfanylbenzene (PubChem CID 73014289) has the molecular formula C9H7F3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 3,3,3-trifluoroprop-1-enylsulfanylbenzene.

Molecular Properties

Compound Name3,3,3-trifluoroprop-1-enylsulfanylbenzene
PubChem CID73014289
Molecular FormulaC9H7F3S
Molecular Weight204.22 g/mol
Exact Mass204.02
IUPAC Name3,3,3-trifluoroprop-1-enylsulfanylbenzene
SMILESFC(F)(F)C=CSc1ccccc1
InChIInChI=1S/C9H7F3S/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h1-7H
InChIKeyIDLBFALETWPANA-UHFFFAOYSA-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 3,3,3-trifluoroprop-1-enylsulfanylbenzene?
The IUPAC name of 3,3,3-trifluoroprop-1-enylsulfanylbenzene (CID 73014289) is 3,3,3-trifluoroprop-1-enylsulfanylbenzene.
What is the SMILES notation for 3,3,3-trifluoroprop-1-enylsulfanylbenzene?
The canonical SMILES for 3,3,3-trifluoroprop-1-enylsulfanylbenzene is FC(F)(F)C=CSc1ccccc1.
What is the InChIKey of 3,3,3-trifluoroprop-1-enylsulfanylbenzene?
The InChIKey is IDLBFALETWPANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3S/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3,3,3-trifluoroprop-1-enylsulfanylbenzene?
3,3,3-trifluoroprop-1-enylsulfanylbenzene 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 3,3,3-trifluoroprop-1-enylsulfanylbenzene is sourced from PubChem (CID 73014289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).