1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one

C21H16F3OP — CID 13244573

IUPAC1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H16F3OP/c22-21(23,24)20(25)16-26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKeyAPSJTTXFGNCJMC-UHFFFAOYSA-N
MW372.33 g/mol
LogP3.91
Rot. Bonds4

About 1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one

1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one (PubChem CID 13244573) has the molecular formula C21H16F3OP and a molecular weight of 372.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one
PubChem CID13244573
Molecular FormulaC21H16F3OP
Molecular Weight372.33 g/mol
Exact Mass372.09
IUPAC Name1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one
SMILESO=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C21H16F3OP/c22-21(23,24)20(25)16-26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKeyAPSJTTXFGNCJMC-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 53.91
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 1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one (CID 13244573) is 1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one is O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one?
The InChIKey is APSJTTXFGNCJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3OP/c22-21(23,24)20(25)16-26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H.
What are the key properties of 1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one?
1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one has a molecular weight of 372.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(triphenyl-lambda5-phosphanylidene)propan-2-one is sourced from PubChem (CID 13244573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).