3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene

C6H5F5 — CID 66633253

IUPAC3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene
SMILESCC1(F)C(CF)=C1C(F)(F)F
InChIInChI=1S/C6H5F5/c1-5(8)3(2-7)4(5)6(9,10)11/h2H2,1H3
InChIKeyRIBSJLWFNLTWDS-UHFFFAOYSA-N
MW172.10 g/mol
LogP2.56
Rot. Bonds1

About 3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene

3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene (PubChem CID 66633253) has the molecular formula C6H5F5 and a molecular weight of 172.10 g/mol. Its IUPAC name is 3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene.

Molecular Properties

Compound Name3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene
PubChem CID66633253
Molecular FormulaC6H5F5
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Name3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene
SMILESCC1(F)C(CF)=C1C(F)(F)F
InChIInChI=1S/C6H5F5/c1-5(8)3(2-7)4(5)6(9,10)11/h2H2,1H3
InChIKeyRIBSJLWFNLTWDS-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene?
The IUPAC name of 3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene (CID 66633253) is 3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene.
What is the SMILES notation for 3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene?
The canonical SMILES for 3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene is CC1(F)C(CF)=C1C(F)(F)F.
What is the InChIKey of 3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene?
The InChIKey is RIBSJLWFNLTWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5/c1-5(8)3(2-7)4(5)6(9,10)11/h2H2,1H3.
What are the key properties of 3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene?
3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene has a molecular weight of 172.10 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(fluoromethyl)-3-methyl-2-(trifluoromethyl)cyclopropene is sourced from PubChem (CID 66633253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).