1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one

C10H14FNOP2 — CID 159689934

IUPAC1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one
SMILESCP(P)NCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNOP2/c1-15(14)12-7-6-10(13)8-2-4-9(11)5-3-8/h2-5,12H,6-7,14H2,1H3
InChIKeyBNEBAWKQNPQJPO-UHFFFAOYSA-N
MW245.17 g/mol
LogP2.80
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one

1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one (PubChem CID 159689934) has the molecular formula C10H14FNOP2 and a molecular weight of 245.17 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one
PubChem CID159689934
Molecular FormulaC10H14FNOP2
Molecular Weight245.17 g/mol
Exact Mass245.05
IUPAC Name1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one
SMILESCP(P)NCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H14FNOP2/c1-15(14)12-7-6-10(13)8-2-4-9(11)5-3-8/h2-5,12H,6-7,14H2,1H3
InChIKeyBNEBAWKQNPQJPO-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one
CID 10376307
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
3-(3,4-dimethylanilino)-1-(4-fluorophenyl)propan-1-one
CID 4051768
1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
CID 4249451
1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one
CID 3403604
1-(4-fluorophenyl)-4-methylpent-4-en-1-one
CID 70328582
4-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119502777
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]-methylamino]propanoic acid
CID 119362286
4-ethylsulfanyl-1-(4-fluorophenyl)butan-1-one
CID 43793961
4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide
CID 9163716
1-[2-(4-fluorophenyl)ethyl]-3-[3-(4-methylphenyl)-3-oxopropyl]urea
CID 108874692
3-(4-butan-2-ylanilino)-1-(4-fluorophenyl)propan-1-one
CID 3555461

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one (CID 159689934) is 1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one is CP(P)NCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one?
The InChIKey is BNEBAWKQNPQJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOP2/c1-15(14)12-7-6-10(13)8-2-4-9(11)5-3-8/h2-5,12H,6-7,14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one?
1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one has a molecular weight of 245.17 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[[methyl(phosphanyl)phosphanyl]amino]propan-1-one is sourced from PubChem (CID 159689934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).