trifluoro-[methyl(trifluoromethyl)phosphoryl]methane

C3H3F6OP — CID 23418443

IUPACtrifluoro-[methyl(trifluoromethyl)phosphoryl]methane
SMILESCP(=O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F6OP/c1-11(10,2(4,5)6)3(7,8)9/h1H3
InChIKeyGHSMKSKPNZKURV-UHFFFAOYSA-N
MW200.02 g/mol
LogP3.02
Rot. Bonds

About trifluoro-[methyl(trifluoromethyl)phosphoryl]methane

trifluoro-[methyl(trifluoromethyl)phosphoryl]methane (PubChem CID 23418443) has the molecular formula C3H3F6OP and a molecular weight of 200.02 g/mol. Its IUPAC name is trifluoro-[methyl(trifluoromethyl)phosphoryl]methane.

Molecular Properties

Compound Nametrifluoro-[methyl(trifluoromethyl)phosphoryl]methane
PubChem CID23418443
Molecular FormulaC3H3F6OP
Molecular Weight200.02 g/mol
Exact Mass199.98
IUPAC Nametrifluoro-[methyl(trifluoromethyl)phosphoryl]methane
SMILESCP(=O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H3F6OP/c1-11(10,2(4,5)6)3(7,8)9/h1H3
InChIKeyGHSMKSKPNZKURV-UHFFFAOYSA-N
XLogP3.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.02
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro-[methyl(trifluoromethyl)phosphoryl]methane?
The IUPAC name of trifluoro-[methyl(trifluoromethyl)phosphoryl]methane (CID 23418443) is trifluoro-[methyl(trifluoromethyl)phosphoryl]methane.
What is the SMILES notation for trifluoro-[methyl(trifluoromethyl)phosphoryl]methane?
The canonical SMILES for trifluoro-[methyl(trifluoromethyl)phosphoryl]methane is CP(=O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of trifluoro-[methyl(trifluoromethyl)phosphoryl]methane?
The InChIKey is GHSMKSKPNZKURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6OP/c1-11(10,2(4,5)6)3(7,8)9/h1H3.
What are the key properties of trifluoro-[methyl(trifluoromethyl)phosphoryl]methane?
trifluoro-[methyl(trifluoromethyl)phosphoryl]methane has a molecular weight of 200.02 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[methyl(trifluoromethyl)phosphoryl]methane is sourced from PubChem (CID 23418443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).