1-(5-amino-4-chloro-2-fluorophenyl)ethanone

C8H7ClFNO — CID 131597067

IUPAC1-(5-amino-4-chloro-2-fluorophenyl)ethanone
SMILESCC(=O)c1cc(N)c(Cl)cc1F
InChIInChI=1S/C8H7ClFNO/c1-4(12)5-2-8(11)6(9)3-7(5)10/h2-3H,11H2,1H3
InChIKeyROBWFPCTOVVMIX-UHFFFAOYSA-N
MW187.60 g/mol
LogP2.26
Rot. Bonds1

About 1-(5-amino-4-chloro-2-fluorophenyl)ethanone

1-(5-amino-4-chloro-2-fluorophenyl)ethanone (PubChem CID 131597067) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is 1-(5-amino-4-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-4-chloro-2-fluorophenyl)ethanone
PubChem CID131597067
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name1-(5-amino-4-chloro-2-fluorophenyl)ethanone
SMILESCC(=O)c1cc(N)c(Cl)cc1F
InChIInChI=1S/C8H7ClFNO/c1-4(12)5-2-8(11)6(9)3-7(5)10/h2-3H,11H2,1H3
InChIKeyROBWFPCTOVVMIX-UHFFFAOYSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2,4-dichlorophenyl)ethanone;hydrochloride
CID 71393549
1-(5-amino-4-chloro-2-iodophenyl)ethanone
CID 131577542
5-acetyl-2-chloro-4-fluorobenzonitrile
CID 171005519
5-acetyl-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 58727951
1-(2-amino-3-chloro-5-fluorophenyl)ethanone
CID 67511652
(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050999
acetic acid;5-amino-2-chloro-4-fluorobenzoic acid;2-chloro-4-fluoro-5-methylbenzoic acid
CID 157068399
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
1-(4-amino-2-fluorophenyl)ethanone
CID 14621110
1-(5-amino-2-chloro-4-ethylphenyl)ethanone
CID 131312926
1-(2,4,5-triaminophenyl)ethanone
CID 163413679
1-(2,4-difluoro-5-methoxyphenyl)ethanone
CID 117280345

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-(5-amino-4-chloro-2-fluorophenyl)ethanone (CID 131597067) is 1-(5-amino-4-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(5-amino-4-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(5-amino-4-chloro-2-fluorophenyl)ethanone is CC(=O)c1cc(N)c(Cl)cc1F.
What is the InChIKey of 1-(5-amino-4-chloro-2-fluorophenyl)ethanone?
The InChIKey is ROBWFPCTOVVMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c1-4(12)5-2-8(11)6(9)3-7(5)10/h2-3H,11H2,1H3.
What are the key properties of 1-(5-amino-4-chloro-2-fluorophenyl)ethanone?
1-(5-amino-4-chloro-2-fluorophenyl)ethanone has a molecular weight of 187.60 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 131597067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).