3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one

C21H18FOPS — CID 69333878

IUPAC3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCP(=S)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H18FOPS/c22-18-13-11-17(12-14-18)21(23)15-16-24(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,15-16H2
InChIKeyOSHXYJDFPYIBGS-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.53
Rot. Bonds6

About 3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one

3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one (PubChem CID 69333878) has the molecular formula C21H18FOPS and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one
PubChem CID69333878
Molecular FormulaC21H18FOPS
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one
SMILESO=C(CCP(=S)(c1ccccc1)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C21H18FOPS/c22-18-13-11-17(12-14-18)21(23)15-16-24(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,15-16H2
InChIKeyOSHXYJDFPYIBGS-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-fluorophenyl)-4-methylpent-4-en-1-one
CID 70328582
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
1-(4-fluorophenyl)-5-hydroxypentan-1-one
CID 58518916
3-(2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793598
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 60649629
(4-fluorophenyl)-phenylmethanone
CID 161464622
N-(benzenesulfonyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 86997724
[2-(4-fluorophenyl)-2-oxoethyl] 3-phenylprop-2-ynoate
CID 102518021
(3S)-1-(4-fluorophenyl)-3-phenylpent-4-yn-1-one
CID 11982832
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluoroanilino)-4-oxo-4-phenylbutanoate
CID 3904587

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one (CID 69333878) is 3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one is O=C(CCP(=S)(c1ccccc1)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one?
The InChIKey is OSHXYJDFPYIBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FOPS/c22-18-13-11-17(12-14-18)21(23)15-16-24(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,15-16H2.
What are the key properties of 3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one?
3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one has a molecular weight of 368.41 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphinothioyl-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 69333878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).