tert-butyl N-[2-(fluoromethyl)cyclopentyl]carbamate

• ChemBase ID: 240161
• Molecular Formular: C11H20FNO2
• Molecular Mass: 217.2804032
• Monoisotopic Mass: 217.14780711
• SMILES: C(=O)(NC1C(CF)CCC1)OC(C)(C)C
• Canonical SMILES: FCC1CCCC1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C11H20FNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(9)7-12/h8-9H,4-7H2,1-3H3,(H,13,14)
• InChIKey: HETWMBBEKXFVEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-[2-(fluoromethyl)cyclopentyl]carbamate
• IUPAC Traditional name: tert-butyl N-[2-(fluoromethyl)cyclopentyl]carbamate
• Synonyms: tert-butyl N-[2-(fluoromethyl)cyclopentyl]carbamate

Database IDs

• MDL Number: MFCD22392077
• PubChem SID: 164296071
• PubChem CID: 71756480

CALCULATED PROPERTIES

• Acid pKa: 14.588239
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.082283
• LogD (pH = 7.4): 2.082283
• Log P: 2.082283
• Molar Refractivity: 55.8144 cm^3
• Polarizability: 21.904644 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.493

Product Information

• Purity: 95%