1-fluoro-2-methylpropan-2-amine

• ChemBase ID: 278817
• Molecular Formular: C4H10FN
• Molecular Mass: 91.1273032
• Monoisotopic Mass: 91.07972755
• SMILES: C(N)(CF)(C)C
• Canonical SMILES: FCC(N)(C)C
• InChI: InChI=1S/C4H10FN/c1-4(2,6)3-5/h3,6H2,1-2H3
• InChIKey: CHODSSFYKUSDHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-2-methylpropan-2-amine
• IUPAC Traditional name: 1-fluoro-2-methylpropan-2-amine
• Synonyms: 1-fluoro-2-methylpropan-2-amine

Database IDs

• MDL Number: MFCD19203355
• PubChem SID: 164334727
• PubChem CID: 13935250

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6998017
• LogD (pH = 7.4): -1.6541433
• Log P: 0.27268258
• Molar Refractivity: 23.576 cm^3
• Polarizability: 9.326524 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.296

Product Information

• Purity: 95%