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

C6H2F8 — CID 87084260

IUPAC3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene
SMILESFCC1(F)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C6H2F8/c7-1-4(8)2(5(9,10)11)3(4)6(12,13)14/h1H2
InChIKeyDWNLQAGYNMWUEI-UHFFFAOYSA-N
MW226.07 g/mol
LogP3.10
Rot. Bonds1

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

3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene (PubChem CID 87084260) has the molecular formula C6H2F8 and a molecular weight of 226.07 g/mol. Its IUPAC name is 3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene.

Molecular Properties

Compound Name3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene
PubChem CID87084260
Molecular FormulaC6H2F8
Molecular Weight226.07 g/mol
Exact Mass226.00
IUPAC Name3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene
SMILESFCC1(F)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C6H2F8/c7-1-4(8)2(5(9,10)11)3(4)6(12,13)14/h1H2
InChIKeyDWNLQAGYNMWUEI-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 53.10
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 3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene?
The IUPAC name of 3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene (CID 87084260) is 3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene.
What is the SMILES notation for 3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene?
The canonical SMILES for 3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene is FCC1(F)C(C(F)(F)F)=C1C(F)(F)F.
What is the InChIKey of 3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene?
The InChIKey is DWNLQAGYNMWUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8/c7-1-4(8)2(5(9,10)11)3(4)6(12,13)14/h1H2.
What are the key properties of 3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene?
3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene has a molecular weight of 226.07 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(fluoromethyl)-1,2-bis(trifluoromethyl)cyclopropene is sourced from PubChem (CID 87084260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).