1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine

C9H18F3NO — CID 170585146

IUPAC1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine
SMILESCC(C)C(C)(F)C(N)CCOC(F)F
InChIInChI=1S/C9H18F3NO/c1-6(2)9(3,12)7(13)4-5-14-8(10)11/h6-8H,4-5,13H2,1-3H3
InChIKeyPMDFNPDLESSFRZ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.33
Rot. Bonds6

About 1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine

1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine (PubChem CID 170585146) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine
PubChem CID170585146
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine
SMILESCC(C)C(C)(F)C(N)CCOC(F)F
InChIInChI=1S/C9H18F3NO/c1-6(2)9(3,12)7(13)4-5-14-8(10)11/h6-8H,4-5,13H2,1-3H3
InChIKeyPMDFNPDLESSFRZ-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine 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-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine?
The IUPAC name of 1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine (CID 170585146) is 1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine.
What is the SMILES notation for 1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine?
The canonical SMILES for 1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine is CC(C)C(C)(F)C(N)CCOC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine?
The InChIKey is PMDFNPDLESSFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-6(2)9(3,12)7(13)4-5-14-8(10)11/h6-8H,4-5,13H2,1-3H3.
What are the key properties of 1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine?
1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine has a molecular weight of 213.24 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine is sourced from PubChem (CID 170585146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).