1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone

C8H6ClF3NOP — CID 58713618

IUPAC1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone
SMILESO=C(c1cc(Cl)ccc1NP)C(F)(F)F
InChIInChI=1S/C8H6ClF3NOP/c9-4-1-2-6(13-15)5(3-4)7(14)8(10,11)12/h1-3,13H,15H2
InChIKeyLHMHWJWFHYVOED-UHFFFAOYSA-N
MW255.56 g/mol
LogP3.29
Rot. Bonds2

About 1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone

1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone (PubChem CID 58713618) has the molecular formula C8H6ClF3NOP and a molecular weight of 255.56 g/mol. Its IUPAC name is 1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone
PubChem CID58713618
Molecular FormulaC8H6ClF3NOP
Molecular Weight255.56 g/mol
Exact Mass254.98
IUPAC Name1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone
SMILESO=C(c1cc(Cl)ccc1NP)C(F)(F)F
InChIInChI=1S/C8H6ClF3NOP/c9-4-1-2-6(13-15)5(3-4)7(14)8(10,11)12/h1-3,13H,15H2
InChIKeyLHMHWJWFHYVOED-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.56
LogP ≤ 53.29
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

1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone
CID 2757718
1-(4-chloro-2-hydroxyphenyl)-2,2,2-trifluoroethanone
CID 146015296
(4R)-5-[4-chloro-2-(2,2,2-trifluoroacetyl)anilino]-2,2-dimethyl-5-oxo-4-phenylpentanoic acid
CID 123516313
1-(2-amino-5-chloro-3-fluorophenyl)-2,2,2-trifluoroethanone
CID 18386558
1-[5-chloro-2-(methoxymethoxy)phenyl]-2,2,2-trifluoroethanone
CID 75529973
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
5-chloro-2-hydrazinyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218313
1-[7-chloro-4-(propan-2-ylamino)quinolin-3-yl]-2,2,2-trifluoroethanone
CID 101121898
5-chloro-2-[difluoro(phosphanyl)methoxy]benzoic acid
CID 167055994
5-chloro-N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzamide
CID 62242667
2-chloro-1-(4-chloro-2-methylphenyl)-2,2-difluoroethanone
CID 91658436

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone (CID 58713618) is 1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone is O=C(c1cc(Cl)ccc1NP)C(F)(F)F.
What is the InChIKey of 1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone?
The InChIKey is LHMHWJWFHYVOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3NOP/c9-4-1-2-6(13-15)5(3-4)7(14)8(10,11)12/h1-3,13H,15H2.
What are the key properties of 1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone?
1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone has a molecular weight of 255.56 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(phosphanylamino)phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 58713618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).