2-fluorobutan-1-amine hydrochloride

• ChemBase ID: 235032
• Molecular Formular: C4H11ClFN
• Molecular Mass: 127.5882432
• Monoisotopic Mass: 127.05640526
• SMILES: Cl.NCC(F)CC
• Canonical SMILES: CCC(CN)F.Cl
• InChI: InChI=1S/C4H10FN.ClH/c1-2-4(5)3-6;/h4H,2-3,6H2,1H3;1H
• InChIKey: GCFJSNTVZBKQCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluorobutan-1-amine hydrochloride
• IUPAC Traditional name: 2-fluorobutan-1-amine hydrochloride
• Synonyms: 2-fluorobutan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22056358
• PubChem SID: 164290942
• PubChem CID: 71755419

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3682318
• LogD (pH = 7.4): -1.0015975
• Log P: 0.5146283
• Molar Refractivity: 23.4618 cm^3
• Polarizability: 9.326794 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.646

Product Information

• Purity: 95%