trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane

C2F7OP — CID 23236111

IUPACtrifluoro-[fluoro(trifluoromethyl)phosphoryl]methane
SMILESO=P(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2F7OP/c3-1(4,5)11(9,10)2(6,7)8
InChIKeyYAUSXBAYDVNLAH-UHFFFAOYSA-N
MW203.98 g/mol
LogP3.27
Rot. Bonds

About trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane

trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane (PubChem CID 23236111) has the molecular formula C2F7OP and a molecular weight of 203.98 g/mol. Its IUPAC name is trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane.

Molecular Properties

Compound Nametrifluoro-[fluoro(trifluoromethyl)phosphoryl]methane
PubChem CID23236111
Molecular FormulaC2F7OP
Molecular Weight203.98 g/mol
Exact Mass203.96
IUPAC Nametrifluoro-[fluoro(trifluoromethyl)phosphoryl]methane
SMILESO=P(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2F7OP/c3-1(4,5)11(9,10)2(6,7)8
InChIKeyYAUSXBAYDVNLAH-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.98
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane?
The IUPAC name of trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane (CID 23236111) is trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane.
What is the SMILES notation for trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane?
The canonical SMILES for trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane is O=P(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane?
The InChIKey is YAUSXBAYDVNLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F7OP/c3-1(4,5)11(9,10)2(6,7)8.
What are the key properties of trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane?
trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane has a molecular weight of 203.98 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[fluoro(trifluoromethyl)phosphoryl]methane is sourced from PubChem (CID 23236111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).