1-prop-2-enyl-4-(trifluoromethyl)benzene

C10H9F3 — CID 11355904

IUPAC1-prop-2-enyl-4-(trifluoromethyl)benzene
SMILESC=CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3/c1-2-3-8-4-6-9(7-5-8)10(11,12)13/h2,4-7H,1,3H2
InChIKeyAEVBWCOLYXWNMX-UHFFFAOYSA-N
MW186.18 g/mol
LogP3.43
Rot. Bonds2

About 1-prop-2-enyl-4-(trifluoromethyl)benzene

1-prop-2-enyl-4-(trifluoromethyl)benzene (PubChem CID 11355904) has the molecular formula C10H9F3 and a molecular weight of 186.18 g/mol. Its IUPAC name is 1-prop-2-enyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-prop-2-enyl-4-(trifluoromethyl)benzene
PubChem CID11355904
Molecular FormulaC10H9F3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name1-prop-2-enyl-4-(trifluoromethyl)benzene
SMILESC=CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3/c1-2-3-8-4-6-9(7-5-8)10(11,12)13/h2,4-7H,1,3H2
InChIKeyAEVBWCOLYXWNMX-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-prop-2-enyl-4-(trifluoromethyl)benzene (CID 11355904) is 1-prop-2-enyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-prop-2-enyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-prop-2-enyl-4-(trifluoromethyl)benzene is C=CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-prop-2-enyl-4-(trifluoromethyl)benzene?
The InChIKey is AEVBWCOLYXWNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3/c1-2-3-8-4-6-9(7-5-8)10(11,12)13/h2,4-7H,1,3H2.
What are the key properties of 1-prop-2-enyl-4-(trifluoromethyl)benzene?
1-prop-2-enyl-4-(trifluoromethyl)benzene has a molecular weight of 186.18 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 11355904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).