2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde

• ChemBase ID: 276663
• Molecular Formular: C11H12FNO
• Molecular Mass: 193.2174832
• Monoisotopic Mass: 193.09029223
• SMILES: c1(N(C2CC2)C)c(cc(cc1)F)C=O
• Canonical SMILES: O=Cc1cc(F)ccc1N(C1CC1)C
• InChI: InChI=1S/C11H12FNO/c1-13(10-3-4-10)11-5-2-9(12)6-8(11)7-14/h2,5-7,10H,3-4H2,1H3
• InChIKey: BCRCCZBIQHXWLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde
• IUPAC Traditional name: 2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde
• Synonyms: 2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde

Database IDs

• MDL Number: MFCD11639787
• PubChem SID: 164332573
• PubChem CID: 43312967

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.401956
• LogD (pH = 7.4): 2.4020572
• Log P: 2.4020586
• Molar Refractivity: 54.4982 cm^3
• Polarizability: 19.671059 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.838

Product Information

• Purity: 95%