3-fluoro-3-methylpyrrolidine hydrochloride

• ChemBase ID: 245522
• Molecular Formular: C5H11ClFN
• Molecular Mass: 139.5989432
• Monoisotopic Mass: 139.05640526
• SMILES: N1CC(F)(CC1)C.Cl
• Canonical SMILES: CC1(F)CNCC1.Cl
• InChI: InChI=1S/C5H10FN.ClH/c1-5(6)2-3-7-4-5;/h7H,2-4H2,1H3;1H
• InChIKey: LDRLKNIQCYFPMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-3-methylpyrrolidine hydrochloride
• IUPAC Traditional name: 3-fluoro-3-methylpyrrolidine hydrochloride
• Synonyms: 3-fluoro-3-methylpyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD23144082
• PubChem SID: 164301432
• PubChem CID: 71757729

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.962688
• LogD (pH = 7.4): -2.0452538
• Log P: 0.23688982
• Molar Refractivity: 26.4984 cm^3
• Polarizability: 10.443387 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.888

Product Information

• Purity: null%