1,1,1-trifluoro-5,5-dimethylhexane

C8H15F3 — CID 18721644

IUPAC1,1,1-trifluoro-5,5-dimethylhexane
SMILESCC(C)(C)CCCC(F)(F)F
InChIInChI=1S/C8H15F3/c1-7(2,3)5-4-6-8(9,10)11/h4-6H2,1-3H3
InChIKeyWICNKNISIIMDHQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP3.77
Rot. Bonds2

About 1,1,1-trifluoro-5,5-dimethylhexane

1,1,1-trifluoro-5,5-dimethylhexane (PubChem CID 18721644) has the molecular formula C8H15F3 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-5,5-dimethylhexane.

Molecular Properties

Compound Name1,1,1-trifluoro-5,5-dimethylhexane
PubChem CID18721644
Molecular FormulaC8H15F3
Molecular Weight168.20 g/mol
Exact Mass168.11
IUPAC Name1,1,1-trifluoro-5,5-dimethylhexane
SMILESCC(C)(C)CCCC(F)(F)F
InChIInChI=1S/C8H15F3/c1-7(2,3)5-4-6-8(9,10)11/h4-6H2,1-3H3
InChIKeyWICNKNISIIMDHQ-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,1-trifluoro-5,5-dimethylhexane 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-5,5-dimethylhexane?
The IUPAC name of 1,1,1-trifluoro-5,5-dimethylhexane (CID 18721644) is 1,1,1-trifluoro-5,5-dimethylhexane.
What is the SMILES notation for 1,1,1-trifluoro-5,5-dimethylhexane?
The canonical SMILES for 1,1,1-trifluoro-5,5-dimethylhexane is CC(C)(C)CCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5,5-dimethylhexane?
The InChIKey is WICNKNISIIMDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3/c1-7(2,3)5-4-6-8(9,10)11/h4-6H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-5,5-dimethylhexane?
1,1,1-trifluoro-5,5-dimethylhexane has a molecular weight of 168.20 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5,5-dimethylhexane is sourced from PubChem (CID 18721644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).