1-(2,2-difluoroethoxy)-4-methylpentan-3-amine

C8H17F2NO — CID 103148849

IUPAC1-(2,2-difluoroethoxy)-4-methylpentan-3-amine
SMILESCC(C)C(N)CCOCC(F)F
InChIInChI=1S/C8H17F2NO/c1-6(2)7(11)3-4-12-5-8(9)10/h6-8H,3-5,11H2,1-2H3
InChIKeyUCWCKWHFUZVFDF-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.64
Rot. Bonds6

About 1-(2,2-difluoroethoxy)-4-methylpentan-3-amine

1-(2,2-difluoroethoxy)-4-methylpentan-3-amine (PubChem CID 103148849) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-4-methylpentan-3-amine
PubChem CID103148849
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1-(2,2-difluoroethoxy)-4-methylpentan-3-amine
SMILESCC(C)C(N)CCOCC(F)F
InChIInChI=1S/C8H17F2NO/c1-6(2)7(11)3-4-12-5-8(9)10/h6-8H,3-5,11H2,1-2H3
InChIKeyUCWCKWHFUZVFDF-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,2-difluoroethoxy)-4-methylpentan-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

Related Compounds

rac-(3R,4R)-3-(trifluoromethyl)oxan-4-amine
CID 137965827
3-[(4-Methylpentyl)oxy]propan-1-amine
CID 110352
1-(3,3-Difluoro-4-methylpentoxy)ethanamine
CID 132082278
(3R)-1-ethoxy-1,1-difluoropentan-3-amine
CID 170384078
1-Ethoxy-1,1-difluoropentan-3-amine
CID 170384112
Ethane;1-ethoxy-1,1-difluoropentan-3-amine
CID 170584924
1-(Difluoromethoxy)-4,4-difluoropentan-3-amine;ethane
CID 170584959
1-(Difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine
CID 170585146
(2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine
CID 177282034
(3R)-1-(difluoromethoxy)-5-methylhexan-3-amine
CID 177282038
(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine
CID 177282058
4,4,4-Trifluoro-3-(4-methylpentan-2-yloxy)butan-1-amine
CID 43753314

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-4-methylpentan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-4-methylpentan-3-amine (CID 103148849) is 1-(2,2-difluoroethoxy)-4-methylpentan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-4-methylpentan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-4-methylpentan-3-amine is CC(C)C(N)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-4-methylpentan-3-amine?
The InChIKey is UCWCKWHFUZVFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-6(2)7(11)3-4-12-5-8(9)10/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-4-methylpentan-3-amine?
1-(2,2-difluoroethoxy)-4-methylpentan-3-amine has a molecular weight of 181.23 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-4-methylpentan-3-amine is sourced from PubChem (CID 103148849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).