3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene

C6HF9 — CID 87084173

IUPAC3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene
SMILESFC(F)C1(F)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C6HF9/c7-3(8)4(9)1(5(10,11)12)2(4)6(13,14)15/h3H
InChIKeyFNLDBFIAORSLBB-UHFFFAOYSA-N
MW244.06 g/mol
LogP3.39
Rot. Bonds1

About 3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene

3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene (PubChem CID 87084173) has the molecular formula C6HF9 and a molecular weight of 244.06 g/mol. Its IUPAC name is 3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene.

Molecular Properties

Compound Name3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene
PubChem CID87084173
Molecular FormulaC6HF9
Molecular Weight244.06 g/mol
Exact Mass243.99
IUPAC Name3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene
SMILESFC(F)C1(F)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C6HF9/c7-3(8)4(9)1(5(10,11)12)2(4)6(13,14)15/h3H
InChIKeyFNLDBFIAORSLBB-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)-3-fluoro-1,2-bis(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-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene?
The IUPAC name of 3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene (CID 87084173) is 3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene.
What is the SMILES notation for 3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene?
The canonical SMILES for 3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene is FC(F)C1(F)C(C(F)(F)F)=C1C(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene?
The InChIKey is FNLDBFIAORSLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF9/c7-3(8)4(9)1(5(10,11)12)2(4)6(13,14)15/h3H.
What are the key properties of 3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene?
3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene has a molecular weight of 244.06 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-3-fluoro-1,2-bis(trifluoromethyl)cyclopropene is sourced from PubChem (CID 87084173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).