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

C6H4F6 — CID 87084006

IUPAC1-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene
SMILESCC1(F)C(C(F)F)=C1C(F)(F)F
InChIInChI=1S/C6H4F6/c1-5(9)2(4(7)8)3(5)6(10,11)12/h4H,1H3
InChIKeyQPQRMKOGHRBMSQ-UHFFFAOYSA-N
MW190.09 g/mol
LogP2.85
Rot. Bonds1

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

1-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene (PubChem CID 87084006) has the molecular formula C6H4F6 and a molecular weight of 190.09 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene.

Molecular Properties

Compound Name1-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene
PubChem CID87084006
Molecular FormulaC6H4F6
Molecular Weight190.09 g/mol
Exact Mass190.02
IUPAC Name1-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene
SMILESCC1(F)C(C(F)F)=C1C(F)(F)F
InChIInChI=1S/C6H4F6/c1-5(9)2(4(7)8)3(5)6(10,11)12/h4H,1H3
InChIKeyQPQRMKOGHRBMSQ-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.09
LogP ≤ 52.85
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-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene?
The IUPAC name of 1-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene (CID 87084006) is 1-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene.
What is the SMILES notation for 1-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene?
The canonical SMILES for 1-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene is CC1(F)C(C(F)F)=C1C(F)(F)F.
What is the InChIKey of 1-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene?
The InChIKey is QPQRMKOGHRBMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6/c1-5(9)2(4(7)8)3(5)6(10,11)12/h4H,1H3.
What are the key properties of 1-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene?
1-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene has a molecular weight of 190.09 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-fluoro-3-methyl-2-(trifluoromethyl)cyclopropene is sourced from PubChem (CID 87084006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).