1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane

C10H13ClFNO — CID 142097721

IUPAC1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane
SMILESCC.Nc1ccc(C(=O)CCl)c(F)c1
InChIInChI=1S/C8H7ClFNO.C2H6/c9-4-8(12)6-2-1-5(11)3-7(6)10;1-2/h1-3H,4,11H2;1-2H3
InChIKeyPXLSBIJDLKUSSE-UHFFFAOYSA-N
MW217.67 g/mol
LogP2.86
Rot. Bonds2

About 1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane

1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane (PubChem CID 142097721) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane.

Molecular Properties

Compound Name1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane
PubChem CID142097721
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane
SMILESCC.Nc1ccc(C(=O)CCl)c(F)c1
InChIInChI=1S/C8H7ClFNO.C2H6/c9-4-8(12)6-2-1-5(11)3-7(6)10;1-2/h1-3H,4,11H2;1-2H3
InChIKeyPXLSBIJDLKUSSE-UHFFFAOYSA-N
XLogP2.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
1-(5-amino-2-methylphenyl)-2-chloroethanone
CID 88924641
1-(4-amino-2-fluorophenyl)ethanone
CID 14621110
1-(4-amino-2-fluorophenyl)ethanone;hydrochloride
CID 118817764
1-(4-bromo-2-fluoro-5-methylphenyl)-2-chloroethanone
CID 131292332
1-(2-amino-5-bromo-4-fluorophenyl)-2-chloroethanone
CID 167472486
1-(4-amino-2-bromo-5-fluorophenyl)-2-chloroethanone
CID 171016614
1-(4-amino-5-fluoro-2-methylphenyl)-2-chloroethanone
CID 171018097
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421
4-amino-2-fluorobenzohydrazide;formic acid
CID 175317690
4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide
CID 113409457

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane?
The IUPAC name of 1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane (CID 142097721) is 1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane.
What is the SMILES notation for 1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane?
The canonical SMILES for 1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane is CC.Nc1ccc(C(=O)CCl)c(F)c1.
What is the InChIKey of 1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane?
The InChIKey is PXLSBIJDLKUSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO.C2H6/c9-4-8(12)6-2-1-5(11)3-7(6)10;1-2/h1-3H,4,11H2;1-2H3.
What are the key properties of 1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane?
1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane has a molecular weight of 217.67 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluorophenyl)-2-chloroethanone;ethane is sourced from PubChem (CID 142097721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).