phosphanyl 2,2,2-trifluoroacetate

C2H2F3O2P — CID 88670110

IUPACphosphanyl 2,2,2-trifluoroacetate
SMILESO=C(OP)C(F)(F)F
InChIInChI=1S/C2H2F3O2P/c3-2(4,5)1(6)7-8/h8H2
InChIKeyOCPJZGYXJQLRCO-UHFFFAOYSA-N
MW146.00 g/mol
LogP0.88
Rot. Bonds

About phosphanyl 2,2,2-trifluoroacetate

phosphanyl 2,2,2-trifluoroacetate (PubChem CID 88670110) has the molecular formula C2H2F3O2P and a molecular weight of 146.00 g/mol. Its IUPAC name is phosphanyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namephosphanyl 2,2,2-trifluoroacetate
PubChem CID88670110
Molecular FormulaC2H2F3O2P
Molecular Weight146.00 g/mol
Exact Mass145.97
IUPAC Namephosphanyl 2,2,2-trifluoroacetate
SMILESO=C(OP)C(F)(F)F
InChIInChI=1S/C2H2F3O2P/c3-2(4,5)1(6)7-8/h8H2
InChIKeyOCPJZGYXJQLRCO-UHFFFAOYSA-N
XLogP0.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.00
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze phosphanyl 2,2,2-trifluoroacetate with MolForge

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

Launch Full Analysis

Related Compounds

bis[(2,2,2-trifluoroacetyl)oxy]stibanyl 2,2,2-trifluoroacetate
CID 16685221
cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 175538194
phosphanyl 2,2,3,3-tetramethylbutanoate
CID 141485213
oxothallanyl 2,2,2-trifluoroacetate
CID 141105669
dichloromethane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 23148895
(2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate
CID 87313156
aminomethyl 2,2,2-trifluoroacetate
CID 59001854
acetyl 2,2,2-trifluoroacetate;copper
CID 174842973
dimethylsilyl 2,2,2-trifluoroacetate
CID 123653640
phosphono 2,2,2-trifluoroacetate
CID 57464439
lithium;hydride;tetrakis[(2,2,2-trifluoroacetyl)oxy]boranuide
CID 173195511
phosphanyl 2,3-difluoro-3-methyl-2-prop-1-enylhex-5-enoate
CID 123698256

Frequently Asked Questions

What is the IUPAC name of phosphanyl 2,2,2-trifluoroacetate?
The IUPAC name of phosphanyl 2,2,2-trifluoroacetate (CID 88670110) is phosphanyl 2,2,2-trifluoroacetate.
What is the SMILES notation for phosphanyl 2,2,2-trifluoroacetate?
The canonical SMILES for phosphanyl 2,2,2-trifluoroacetate is O=C(OP)C(F)(F)F.
What is the InChIKey of phosphanyl 2,2,2-trifluoroacetate?
The InChIKey is OCPJZGYXJQLRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3O2P/c3-2(4,5)1(6)7-8/h8H2.
What are the key properties of phosphanyl 2,2,2-trifluoroacetate?
phosphanyl 2,2,2-trifluoroacetate has a molecular weight of 146.00 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 88670110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).