5-(difluoromethoxy)pentan-1-amine

C6H13F2NO — CID 84716506

IUPAC5-(difluoromethoxy)pentan-1-amine
SMILESNCCCCCOC(F)F
InChIInChI=1S/C6H13F2NO/c7-6(8)10-5-3-1-2-4-9/h6H,1-5,9H2
InChIKeyAJMNEMPFGWSQKK-UHFFFAOYSA-N
MW153.17 g/mol
LogP1.35
Rot. Bonds6

About 5-(difluoromethoxy)pentan-1-amine

5-(difluoromethoxy)pentan-1-amine (PubChem CID 84716506) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 5-(difluoromethoxy)pentan-1-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)pentan-1-amine
PubChem CID84716506
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name5-(difluoromethoxy)pentan-1-amine
SMILESNCCCCCOC(F)F
InChIInChI=1S/C6H13F2NO/c7-6(8)10-5-3-1-2-4-9/h6H,1-5,9H2
InChIKeyAJMNEMPFGWSQKK-UHFFFAOYSA-N
XLogP1.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(difluoromethoxy)pentan-1-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 5-(difluoromethoxy)pentan-1-amine?
The IUPAC name of 5-(difluoromethoxy)pentan-1-amine (CID 84716506) is 5-(difluoromethoxy)pentan-1-amine.
What is the SMILES notation for 5-(difluoromethoxy)pentan-1-amine?
The canonical SMILES for 5-(difluoromethoxy)pentan-1-amine is NCCCCCOC(F)F.
What is the InChIKey of 5-(difluoromethoxy)pentan-1-amine?
The InChIKey is AJMNEMPFGWSQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c7-6(8)10-5-3-1-2-4-9/h6H,1-5,9H2.
What are the key properties of 5-(difluoromethoxy)pentan-1-amine?
5-(difluoromethoxy)pentan-1-amine has a molecular weight of 153.17 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)pentan-1-amine is sourced from PubChem (CID 84716506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).