1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene

C6H6F6 — CID 20676946

IUPAC1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene
SMILESCC(C)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6/c1-3(2)4(5(7,8)9)6(10,11)12/h1-2H3
InChIKeyZGLJKBNBRZLMAP-UHFFFAOYSA-N
MW192.10 g/mol
LogP3.45
Rot. Bonds

About 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene

1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene (PubChem CID 20676946) has the molecular formula C6H6F6 and a molecular weight of 192.10 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene
PubChem CID20676946
Molecular FormulaC6H6F6
Molecular Weight192.10 g/mol
Exact Mass192.04
IUPAC Name1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene
SMILESCC(C)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6/c1-3(2)4(5(7,8)9)6(10,11)12/h1-2H3
InChIKeyZGLJKBNBRZLMAP-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 53.45
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 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene?
The IUPAC name of 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene (CID 20676946) is 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene.
What is the SMILES notation for 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene?
The canonical SMILES for 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene is CC(C)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene?
The InChIKey is ZGLJKBNBRZLMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6/c1-3(2)4(5(7,8)9)6(10,11)12/h1-2H3.
What are the key properties of 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene?
1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene has a molecular weight of 192.10 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methyl-2-(trifluoromethyl)but-2-ene is sourced from PubChem (CID 20676946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).