2,2,5-trifluoro-5-methylhexane

C7H13F3 — CID 134441894

IUPAC2,2,5-trifluoro-5-methylhexane
SMILESCC(C)(F)CCC(C)(F)F
InChIInChI=1S/C7H13F3/c1-6(2,8)4-5-7(3,9)10/h4-5H2,1-3H3
InChIKeyTXOCVFAJESOAGX-UHFFFAOYSA-N
MW154.17 g/mol
LogP3.17
Rot. Bonds3

About 2,2,5-trifluoro-5-methylhexane

2,2,5-trifluoro-5-methylhexane (PubChem CID 134441894) has the molecular formula C7H13F3 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2,2,5-trifluoro-5-methylhexane.

Molecular Properties

Compound Name2,2,5-trifluoro-5-methylhexane
PubChem CID134441894
Molecular FormulaC7H13F3
Molecular Weight154.17 g/mol
Exact Mass154.10
IUPAC Name2,2,5-trifluoro-5-methylhexane
SMILESCC(C)(F)CCC(C)(F)F
InChIInChI=1S/C7H13F3/c1-6(2,8)4-5-7(3,9)10/h4-5H2,1-3H3
InChIKeyTXOCVFAJESOAGX-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,2,5-trifluoro-5-methylhexane 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 2,2,5-trifluoro-5-methylhexane?
The IUPAC name of 2,2,5-trifluoro-5-methylhexane (CID 134441894) is 2,2,5-trifluoro-5-methylhexane.
What is the SMILES notation for 2,2,5-trifluoro-5-methylhexane?
The canonical SMILES for 2,2,5-trifluoro-5-methylhexane is CC(C)(F)CCC(C)(F)F.
What is the InChIKey of 2,2,5-trifluoro-5-methylhexane?
The InChIKey is TXOCVFAJESOAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3/c1-6(2,8)4-5-7(3,9)10/h4-5H2,1-3H3.
What are the key properties of 2,2,5-trifluoro-5-methylhexane?
2,2,5-trifluoro-5-methylhexane has a molecular weight of 154.17 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trifluoro-5-methylhexane is sourced from PubChem (CID 134441894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).