2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene

C6H5F7 — CID 135262216

IUPAC2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene
SMILESFCC(=C(C(F)F)C(F)F)C(F)F
InChIInChI=1S/C6H5F7/c7-1-2(4(8)9)3(5(10)11)6(12)13/h4-6H,1H2
InChIKeyLREGMCXGBVVBEU-UHFFFAOYSA-N
MW210.09 g/mol
LogP3.05
Rot. Bonds4

About 2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene

2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene (PubChem CID 135262216) has the molecular formula C6H5F7 and a molecular weight of 210.09 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene
PubChem CID135262216
Molecular FormulaC6H5F7
Molecular Weight210.09 g/mol
Exact Mass210.03
IUPAC Name2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene
SMILESFCC(=C(C(F)F)C(F)F)C(F)F
InChIInChI=1S/C6H5F7/c7-1-2(4(8)9)3(5(10)11)6(12)13/h4-6H,1H2
InChIKeyLREGMCXGBVVBEU-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene 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 2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene?
The IUPAC name of 2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene (CID 135262216) is 2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene.
What is the SMILES notation for 2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene?
The canonical SMILES for 2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene is FCC(=C(C(F)F)C(F)F)C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene?
The InChIKey is LREGMCXGBVVBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7/c7-1-2(4(8)9)3(5(10)11)6(12)13/h4-6H,1H2.
What are the key properties of 2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene?
2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene has a molecular weight of 210.09 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene is sourced from PubChem (CID 135262216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).