2,2,2-trichloro-1-diphenylphosphanylethanone

C14H10Cl3OP — CID 12909111

IUPAC2,2,2-trichloro-1-diphenylphosphanylethanone
SMILESO=C(P(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H10Cl3OP/c15-14(16,17)13(18)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyFNZCVMZPIFJXEB-UHFFFAOYSA-N
MW331.57 g/mol
LogP4.02
Rot. Bonds3

About 2,2,2-trichloro-1-diphenylphosphanylethanone

2,2,2-trichloro-1-diphenylphosphanylethanone (PubChem CID 12909111) has the molecular formula C14H10Cl3OP and a molecular weight of 331.57 g/mol. Its IUPAC name is 2,2,2-trichloro-1-diphenylphosphanylethanone.

Molecular Properties

Compound Name2,2,2-trichloro-1-diphenylphosphanylethanone
PubChem CID12909111
Molecular FormulaC14H10Cl3OP
Molecular Weight331.57 g/mol
Exact Mass329.95
IUPAC Name2,2,2-trichloro-1-diphenylphosphanylethanone
SMILESO=C(P(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H10Cl3OP/c15-14(16,17)13(18)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyFNZCVMZPIFJXEB-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium
CID 158642477
rhodium;bis(2,2,2-trichloroacetic acid);triphenylphosphane
CID 173458936
1,3-bis(diphenylphosphanyl)propane-1,3-dione
CID 13144216
1,7-bis(diphenylphosphanyl)heptane-1,7-dione
CID 13144223
carbonyl dichloride;bis(triphenylphosphane)
CID 87775041
1-diphenylphosphanyl-2,2-difluoroethanone
CID 23414438
benzoic acid;chromium
CID 139063467
2-chloroacetic acid;triphenylphosphane
CID 158594327
acetic acid;chlororuthenium;tris(triphenylphosphane)
CID 172641403
azane;1-diphenylphosphanylethenyl(diphenyl)phosphane
CID 87633873
benzamide;2,2,2-trichloroacetic acid
CID 70538723
methyl(diphenyl)phosphane;terephthalic acid
CID 175491126

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-diphenylphosphanylethanone?
The IUPAC name of 2,2,2-trichloro-1-diphenylphosphanylethanone (CID 12909111) is 2,2,2-trichloro-1-diphenylphosphanylethanone.
What is the SMILES notation for 2,2,2-trichloro-1-diphenylphosphanylethanone?
The canonical SMILES for 2,2,2-trichloro-1-diphenylphosphanylethanone is O=C(P(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-diphenylphosphanylethanone?
The InChIKey is FNZCVMZPIFJXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3OP/c15-14(16,17)13(18)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2,2,2-trichloro-1-diphenylphosphanylethanone?
2,2,2-trichloro-1-diphenylphosphanylethanone has a molecular weight of 331.57 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-diphenylphosphanylethanone is sourced from PubChem (CID 12909111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).