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

• ChemBase ID: 240159
• Molecular Formular: C10H18FNO2
• Molecular Mass: 203.2538232
• Monoisotopic Mass: 203.13215704
• SMILES: C(=O)(NC1C(CC1)CF)OC(C)(C)C
• Canonical SMILES: FCC1CCC1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C10H18FNO2/c1-10(2,3)14-9(13)12-8-5-4-7(8)6-11/h7-8H,4-6H2,1-3H3,(H,12,13)
• InChIKey: IHHSXCLECNNDPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22392075
• PubChem SID: 164296069
• PubChem CID: 71756478

CALCULATED PROPERTIES

• Acid pKa: 14.511569
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6377144
• LogD (pH = 7.4): 1.6377144
• Log P: 1.6377144
• Molar Refractivity: 51.2134 cm^3
• Polarizability: 20.078756 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.934

Product Information

• Purity: 95%