1-ethyl-3-(trifluoromethyl)cyclopropene

C6H7F3 — CID 163553184

IUPAC1-ethyl-3-(trifluoromethyl)cyclopropene
SMILESCCC1=CC1C(F)(F)F
InChIInChI=1S/C6H7F3/c1-2-4-3-5(4)6(7,8)9/h3,5H,2H2,1H3
InChIKeyFKUPXYOVWLLFQY-UHFFFAOYSA-N
MW136.12 g/mol
LogP2.51
Rot. Bonds1

About 1-ethyl-3-(trifluoromethyl)cyclopropene

1-ethyl-3-(trifluoromethyl)cyclopropene (PubChem CID 163553184) has the molecular formula C6H7F3 and a molecular weight of 136.12 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)cyclopropene.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)cyclopropene
PubChem CID163553184
Molecular FormulaC6H7F3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name1-ethyl-3-(trifluoromethyl)cyclopropene
SMILESCCC1=CC1C(F)(F)F
InChIInChI=1S/C6H7F3/c1-2-4-3-5(4)6(7,8)9/h3,5H,2H2,1H3
InChIKeyFKUPXYOVWLLFQY-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 52.51
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-ethyl-3-(trifluoromethyl)cyclopropene?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)cyclopropene (CID 163553184) is 1-ethyl-3-(trifluoromethyl)cyclopropene.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)cyclopropene?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)cyclopropene is CCC1=CC1C(F)(F)F.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)cyclopropene?
The InChIKey is FKUPXYOVWLLFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3/c1-2-4-3-5(4)6(7,8)9/h3,5H,2H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)cyclopropene?
1-ethyl-3-(trifluoromethyl)cyclopropene has a molecular weight of 136.12 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)cyclopropene is sourced from PubChem (CID 163553184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).