1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one

C11H10F2NOP — CID 118401904

IUPAC1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one
SMILESC#CCC(NP)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H10F2NOP/c1-2-3-10(14-16)11(15)8-6-7(12)4-5-9(8)13/h1,4-6,10,14H,3,16H2
InChIKeyIUOZLKFIFPAQIM-UHFFFAOYSA-N
MW241.18 g/mol
LogP1.92
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one

1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one (PubChem CID 118401904) has the molecular formula C11H10F2NOP and a molecular weight of 241.18 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one
PubChem CID118401904
Molecular FormulaC11H10F2NOP
Molecular Weight241.18 g/mol
Exact Mass241.05
IUPAC Name1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one
SMILESC#CCC(NP)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H10F2NOP/c1-2-3-10(14-16)11(15)8-6-7(12)4-5-9(8)13/h1,4-6,10,14H,3,16H2
InChIKeyIUOZLKFIFPAQIM-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-difluorophenyl)but-3-yn-1-one
CID 63661122
benzyl 3-(2,5-difluorobenzoyl)hex-5-ynoate
CID 161334062
methyl 5-(2,5-difluorophenyl)-4-(methylamino)-5-oxopentanoate
CID 82349449
1-(2,5-difluorophenyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456132
1-(2,5-difluorophenyl)-3-ethyl-2-hydroxypentan-1-one
CID 103458391
2-amino-1-(2,5-difluorophenyl)-4-methylpentan-1-one
CID 82048981
2-bromo-1-(2,5-difluorophenyl)pentan-1-one
CID 82254695
2-[(2-chloro-5-fluorophenyl)carbamoylamino]pent-4-ynoic acid
CID 107529915
methyl 5-(2,5-difluorophenyl)-5-oxo-4-(prop-2-enylamino)pentanoate
CID 82349448
2-amino-1-(2,5-difluorophenyl)pent-4-en-1-one
CID 116606859
5-fluoro-2-(prop-2-ynylamino)benzoic acid
CID 63674509
N-(3-chloropropyl)-2,5-difluorobenzamide
CID 43133472

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one (CID 118401904) is 1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one is C#CCC(NP)C(=O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one?
The InChIKey is IUOZLKFIFPAQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2NOP/c1-2-3-10(14-16)11(15)8-6-7(12)4-5-9(8)13/h1,4-6,10,14H,3,16H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one?
1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one has a molecular weight of 241.18 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(phosphanylamino)pent-4-yn-1-one is sourced from PubChem (CID 118401904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).