1-diphenylphosphanyl-2,2-difluoroethanone

C14H11F2OP — CID 23414438

IUPAC1-diphenylphosphanyl-2,2-difluoroethanone
SMILESO=C(C(F)F)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11F2OP/c15-13(16)14(17)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyPIJVOWDGCDBPHZ-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.91
Rot. Bonds4

About 1-diphenylphosphanyl-2,2-difluoroethanone

1-diphenylphosphanyl-2,2-difluoroethanone (PubChem CID 23414438) has the molecular formula C14H11F2OP and a molecular weight of 264.21 g/mol. Its IUPAC name is 1-diphenylphosphanyl-2,2-difluoroethanone.

Molecular Properties

Compound Name1-diphenylphosphanyl-2,2-difluoroethanone
PubChem CID23414438
Molecular FormulaC14H11F2OP
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name1-diphenylphosphanyl-2,2-difluoroethanone
SMILESO=C(C(F)F)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11F2OP/c15-13(16)14(17)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKeyPIJVOWDGCDBPHZ-UHFFFAOYSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2-difluoroacetic acid);rhodium;triphenylphosphane
CID 173458456
1,3-bis(diphenylphosphanyl)propane-1,3-dione
CID 13144216
2-diphenylphosphanylpropanoic acid
CID 14902743
2,2,2-trichloro-1-diphenylphosphanylethanone
CID 12909111
1-fluoroethenyl(diphenyl)phosphane
CID 11128108
1,7-bis(diphenylphosphanyl)heptane-1,7-dione
CID 13144223
1-diphenylphosphanyl-2,2-dimethylpropan-1-one;oxophosphanium
CID 158642477
carbonyl dichloride;bis(triphenylphosphane)
CID 87775041
azane;1-diphenylphosphanylethenyl(diphenyl)phosphane
CID 87633873
buta-2,3-dien-2-yl(diphenyl)phosphane
CID 23270104
acetic acid;triphenylphosphane;hydrochloride
CID 87530977
(2S)-2-fluoro-2-phenylacetic acid
CID 7003723

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphanyl-2,2-difluoroethanone?
The IUPAC name of 1-diphenylphosphanyl-2,2-difluoroethanone (CID 23414438) is 1-diphenylphosphanyl-2,2-difluoroethanone.
What is the SMILES notation for 1-diphenylphosphanyl-2,2-difluoroethanone?
The canonical SMILES for 1-diphenylphosphanyl-2,2-difluoroethanone is O=C(C(F)F)P(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphanyl-2,2-difluoroethanone?
The InChIKey is PIJVOWDGCDBPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2OP/c15-13(16)14(17)18(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H.
What are the key properties of 1-diphenylphosphanyl-2,2-difluoroethanone?
1-diphenylphosphanyl-2,2-difluoroethanone has a molecular weight of 264.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphanyl-2,2-difluoroethanone is sourced from PubChem (CID 23414438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).