potassium (2,3,4,5,6-pentafluorobenzoyl)azanide

C7HF5KNO — CID 171919116

IUPACpotassium (2,3,4,5,6-pentafluorobenzoyl)azanide
SMILES[K+].[NH-]C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F5NO.K/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;/h(H2,13,14);/q;+1/p-1
InChIKeyOSMZMADTXDOCRZ-UHFFFAOYSA-M
MW249.18 g/mol
LogP-0.42
Rot. Bonds1

About potassium (2,3,4,5,6-pentafluorobenzoyl)azanide

potassium (2,3,4,5,6-pentafluorobenzoyl)azanide (PubChem CID 171919116) has the molecular formula C7HF5KNO and a molecular weight of 249.18 g/mol. Its IUPAC name is potassium (2,3,4,5,6-pentafluorobenzoyl)azanide.

Molecular Properties

Compound Namepotassium (2,3,4,5,6-pentafluorobenzoyl)azanide
PubChem CID171919116
Molecular FormulaC7HF5KNO
Molecular Weight249.18 g/mol
Exact Mass248.96
IUPAC Namepotassium (2,3,4,5,6-pentafluorobenzoyl)azanide
SMILES[K+].[NH-]C(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F5NO.K/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;/h(H2,13,14);/q;+1/p-1
InChIKeyOSMZMADTXDOCRZ-UHFFFAOYSA-M
XLogP-0.42
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,6-pentafluoro(13C)benzoic acid
CID 171380486
alumane;2,3,4,5,6-pentafluorobenzoic acid
CID 175014450
cadmium;bis(2,3,4,5,6-pentafluorobenzoic acid)
CID 135046490
mercury;3,4,5,6-tetrafluorophthalic acid
CID 87844638
magnesium;2,3,4,5,6-pentafluorobenzoic acid;chloride
CID 173268158
2,4,5,6-tetrafluorobenzene-1,3-dicarbonyl chloride
CID 18764629
2,2-difluoro-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 130136659
sodium;2,3,4,5,6-pentafluorobenzoate;hydrate
CID 155734252
1,3-bis(2,3,4,5,6-pentafluorophenyl)propane-1,3-dione;copper
CID 159338327
1-(2,3,4,5,6-pentafluorophenyl)propan-1-one
CID 23263422
3-(2,3-dicarboxy-4,5,6-trifluorobenzoyl)-4,5,6-trifluorophthalic acid
CID 19891320
2,2-dichloro-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 146007729

Frequently Asked Questions

What is the IUPAC name of potassium (2,3,4,5,6-pentafluorobenzoyl)azanide?
The IUPAC name of potassium (2,3,4,5,6-pentafluorobenzoyl)azanide (CID 171919116) is potassium (2,3,4,5,6-pentafluorobenzoyl)azanide.
What is the SMILES notation for potassium (2,3,4,5,6-pentafluorobenzoyl)azanide?
The canonical SMILES for potassium (2,3,4,5,6-pentafluorobenzoyl)azanide is [K+].[NH-]C(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of potassium (2,3,4,5,6-pentafluorobenzoyl)azanide?
The InChIKey is OSMZMADTXDOCRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H2F5NO.K/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;/h(H2,13,14);/q;+1/p-1.
What are the key properties of potassium (2,3,4,5,6-pentafluorobenzoyl)azanide?
potassium (2,3,4,5,6-pentafluorobenzoyl)azanide has a molecular weight of 249.18 g/mol, XLogP of -0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2,3,4,5,6-pentafluorobenzoyl)azanide is sourced from PubChem (CID 171919116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).