1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane

C11H15F7O — CID 20793113

IUPAC1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane
SMILESC=C(C(F)COCC(C)(CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F7O/c1-4-9(3,11(16,17)18)6-19-5-8(12)7(2)10(13,14)15/h8H,2,4-6H2,1,3H3
InChIKeyVXDCWXGTACDRSA-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.44
Rot. Bonds6

About 1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane

1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane (PubChem CID 20793113) has the molecular formula C11H15F7O and a molecular weight of 296.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane
PubChem CID20793113
Molecular FormulaC11H15F7O
Molecular Weight296.23 g/mol
Exact Mass296.10
IUPAC Name1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane
SMILESC=C(C(F)COCC(C)(CC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F7O/c1-4-9(3,11(16,17)18)6-19-5-8(12)7(2)10(13,14)15/h8H,2,4-6H2,1,3H3
InChIKeyVXDCWXGTACDRSA-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane 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 1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane?
The IUPAC name of 1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane (CID 20793113) is 1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane.
What is the SMILES notation for 1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane?
The canonical SMILES for 1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane is C=C(C(F)COCC(C)(CC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane?
The InChIKey is VXDCWXGTACDRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F7O/c1-4-9(3,11(16,17)18)6-19-5-8(12)7(2)10(13,14)15/h8H,2,4-6H2,1,3H3.
What are the key properties of 1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane?
1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane has a molecular weight of 296.23 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[[2-fluoro-3-(trifluoromethyl)but-3-enoxy]methyl]-2-methylbutane is sourced from PubChem (CID 20793113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).