tetrafluoro(12C)methane

• ChemBase ID: 135291
• Molecular Formular: CF4
• Molecular Mass: 87.9936128
• Monoisotopic Mass: 87.99361288
• SMILES: [12C](F)(F)(F)F
• Canonical SMILES: F[12C](F)(F)F
• InChI: InChI=1S/CF4/c2-1(3,4)5/i1+0
• InChIKey: TXEYQDLBPFQVAA-IGMARMGPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoro(^1^2C)methane
• IUPAC Traditional name: tetrafluoro(^1^2C)methane
• Synonyms: Tetrafluoromethane-12C; Carbon-12C tetrafluoride; 四氟甲烷-12C; 四氟化碳-12C

Database IDs

• MDL Number: MFCD08460917
• PubChem SID: 162229566
• PubChem CID: 71309203

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8462453
• LogD (pH = 7.4): 1.8462453
• Log P: 1.8462453
• Molar Refractivity: 2.3038 cm^3
• Polarizability: 2.8830187 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: depleted

Product Information

• Isotopic Purity: 99.9 atom % 12C
• Description: 13C-depleted

DETAILS

Sigma Aldrich - 606782

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.