3-fluoropropan-1-amine

• ChemBase ID: 278775
• Molecular Formular: C3H8FN
• Molecular Mass: 77.1007232
• Monoisotopic Mass: 77.06407748
• SMILES: NCCCF
• Canonical SMILES: NCCCF
• InChI: InChI=1S/C3H8FN/c4-2-1-3-5/h1-3,5H2
• InChIKey: YTHVGJSPULXGNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoropropan-1-amine
• IUPAC Traditional name: propylamine, 3-fluoro-
• Synonyms: 3-fluoropropan-1-amine

Database IDs

• MDL Number: MFCD01694865
• PubChem SID: 164334685
• PubChem CID: 10019

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.386748
• LogD (pH = 7.4): -2.9189029
• Log P: -0.36450937
• Molar Refractivity: 19.3844 cm^3
• Polarizability: 7.5018125 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.183

Product Information

• Purity: 95%