3-fluorooxan-4-amine

• ChemBase ID: 294642
• Molecular Formular: C5H10FNO
• Molecular Mass: 119.1374032
• Monoisotopic Mass: 119.07464217
• SMILES: NC1C(F)COCC1
• Canonical SMILES: NC1CCOCC1F
• InChI: InChI=1S/C5H10FNO/c6-4-3-8-2-1-5(4)7/h4-5H,1-3,7H2
• InChIKey: RTWSYKYQHQVELW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluorooxan-4-amine
• IUPAC Traditional name: 3-fluorooxan-4-amine
• Synonyms: 3-Fluorotetrahydro-2H-pyran-4-amine

Database IDs

• CAS Number: 1416371-97-5
• PubChem SID: 180680173
• PubChem CID: 66628594

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3864923
• LogD (pH = 7.4): -2.126469
• Log P: -0.46347567
• Molar Refractivity: 27.7993 cm^3
• Polarizability: 11.191701 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%