1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane

C9H11F9O — CID 162347469

IUPAC1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane
SMILESCCC(C)(CC(F)(F)C(F)C(F)(F)F)OC(F)(F)F
InChIInChI=1S/C9H11F9O/c1-3-6(2,19-9(16,17)18)4-7(11,12)5(10)8(13,14)15/h5H,3-4H2,1-2H3
InChIKeyVUSAGEGRJNJRCM-UHFFFAOYSA-N
MW306.17 g/mol
LogP4.62
Rot. Bonds5

About 1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane

1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane (PubChem CID 162347469) has the molecular formula C9H11F9O and a molecular weight of 306.17 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane
PubChem CID162347469
Molecular FormulaC9H11F9O
Molecular Weight306.17 g/mol
Exact Mass306.07
IUPAC Name1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane
SMILESCCC(C)(CC(F)(F)C(F)C(F)(F)F)OC(F)(F)F
InChIInChI=1S/C9H11F9O/c1-3-6(2,19-9(16,17)18)4-7(11,12)5(10)8(13,14)15/h5H,3-4H2,1-2H3
InChIKeyVUSAGEGRJNJRCM-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane 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 1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane (CID 162347469) is 1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane is CCC(C)(CC(F)(F)C(F)C(F)(F)F)OC(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane?
The InChIKey is VUSAGEGRJNJRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F9O/c1-3-6(2,19-9(16,17)18)4-7(11,12)5(10)8(13,14)15/h5H,3-4H2,1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane?
1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane has a molecular weight of 306.17 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-5-methyl-5-(trifluoromethoxy)heptane is sourced from PubChem (CID 162347469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).