1-ethenyl-2-(trifluoromethyl)benzene

C9H7F3 — CID 2778198

IUPAC1-ethenyl-2-(trifluoromethyl)benzene
SMILESC=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C9H7F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h2-6H,1H2
InChIKeyVGWWQZSCLBZOGK-UHFFFAOYSA-N
MW172.15 g/mol
LogP3.35
Rot. Bonds1

About 1-ethenyl-2-(trifluoromethyl)benzene

1-ethenyl-2-(trifluoromethyl)benzene (PubChem CID 2778198) has the molecular formula C9H7F3 and a molecular weight of 172.15 g/mol. Its IUPAC name is 1-ethenyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-2-(trifluoromethyl)benzene
PubChem CID2778198
Molecular FormulaC9H7F3
Molecular Weight172.15 g/mol
Exact Mass172.05
IUPAC Name1-ethenyl-2-(trifluoromethyl)benzene
SMILESC=Cc1ccccc1C(F)(F)F
InChIInChI=1S/C9H7F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h2-6H,1H2
InChIKeyVGWWQZSCLBZOGK-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-ethenyl-2-(trifluoromethyl)benzene (CID 2778198) is 1-ethenyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethenyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethenyl-2-(trifluoromethyl)benzene is C=Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-ethenyl-2-(trifluoromethyl)benzene?
The InChIKey is VGWWQZSCLBZOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h2-6H,1H2.
What are the key properties of 1-ethenyl-2-(trifluoromethyl)benzene?
1-ethenyl-2-(trifluoromethyl)benzene has a molecular weight of 172.15 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 2778198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).