5-methyl-1-(trifluoromethoxy)hexane

C8H15F3O — CID 167474087

IUPAC5-methyl-1-(trifluoromethoxy)hexane
SMILESCC(C)CCCCOC(F)(F)F
InChIInChI=1S/C8H15F3O/c1-7(2)5-3-4-6-12-8(9,10)11/h7H,3-6H2,1-2H3
InChIKeyDJLLRSVCQVFRFA-UHFFFAOYSA-N
MW184.20 g/mol
LogP3.35
Rot. Bonds5

About 5-methyl-1-(trifluoromethoxy)hexane

5-methyl-1-(trifluoromethoxy)hexane (PubChem CID 167474087) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-methyl-1-(trifluoromethoxy)hexane.

Molecular Properties

Compound Name5-methyl-1-(trifluoromethoxy)hexane
PubChem CID167474087
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name5-methyl-1-(trifluoromethoxy)hexane
SMILESCC(C)CCCCOC(F)(F)F
InChIInChI=1S/C8H15F3O/c1-7(2)5-3-4-6-12-8(9,10)11/h7H,3-6H2,1-2H3
InChIKeyDJLLRSVCQVFRFA-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-1-(trifluoromethoxy)hexane 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 5-methyl-1-(trifluoromethoxy)hexane?
The IUPAC name of 5-methyl-1-(trifluoromethoxy)hexane (CID 167474087) is 5-methyl-1-(trifluoromethoxy)hexane.
What is the SMILES notation for 5-methyl-1-(trifluoromethoxy)hexane?
The canonical SMILES for 5-methyl-1-(trifluoromethoxy)hexane is CC(C)CCCCOC(F)(F)F.
What is the InChIKey of 5-methyl-1-(trifluoromethoxy)hexane?
The InChIKey is DJLLRSVCQVFRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-7(2)5-3-4-6-12-8(9,10)11/h7H,3-6H2,1-2H3.
What are the key properties of 5-methyl-1-(trifluoromethoxy)hexane?
5-methyl-1-(trifluoromethoxy)hexane has a molecular weight of 184.20 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(trifluoromethoxy)hexane is sourced from PubChem (CID 167474087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).