1-(3-amino-2-chloro-6-fluorophenyl)ethanone

C8H7ClFNO — CID 83410231

IUPAC1-(3-amino-2-chloro-6-fluorophenyl)ethanone
SMILESCC(=O)c1c(F)ccc(N)c1Cl
InChIInChI=1S/C8H7ClFNO/c1-4(12)7-5(10)2-3-6(11)8(7)9/h2-3H,11H2,1H3
InChIKeyVOEMZEVDJGXRJZ-UHFFFAOYSA-N
MW187.60 g/mol
LogP2.26
Rot. Bonds1

About 1-(3-amino-2-chloro-6-fluorophenyl)ethanone

1-(3-amino-2-chloro-6-fluorophenyl)ethanone (PubChem CID 83410231) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is 1-(3-amino-2-chloro-6-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2-chloro-6-fluorophenyl)ethanone
PubChem CID83410231
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name1-(3-amino-2-chloro-6-fluorophenyl)ethanone
SMILESCC(=O)c1c(F)ccc(N)c1Cl
InChIInChI=1S/C8H7ClFNO/c1-4(12)7-5(10)2-3-6(11)8(7)9/h2-3H,11H2,1H3
InChIKeyVOEMZEVDJGXRJZ-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

3-amino-2-chloro-6-fluorobenzoic acid
CID 66841192
1-(3-amino-6-fluoro-2-hydroxyphenyl)ethanone
CID 131372695
1-(2-chloro-6-fluoro-3-methylphenyl)ethanone
CID 2773655
propan-2-yl 3-amino-2-chloro-6-fluorobenzoate
CID 135395557
1-(6-amino-3-fluoro-2-hydroxyphenyl)ethanone
CID 171017806
1-(3-chloro-6-fluoro-2-methylphenyl)ethanone
CID 84770201
2-chloro-4-fluoro-3-methylaniline
CID 13251510
1-(6-amino-2-chloro-3-methoxyphenyl)ethanone
CID 171022433
3-amino-6-fluorophthalic acid
CID 142417413
methyl 2,3-diamino-6-fluorobenzoate
CID 22464954
1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-chloro-6-fluorophenyl)ethanone?
The IUPAC name of 1-(3-amino-2-chloro-6-fluorophenyl)ethanone (CID 83410231) is 1-(3-amino-2-chloro-6-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-amino-2-chloro-6-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-amino-2-chloro-6-fluorophenyl)ethanone is CC(=O)c1c(F)ccc(N)c1Cl.
What is the InChIKey of 1-(3-amino-2-chloro-6-fluorophenyl)ethanone?
The InChIKey is VOEMZEVDJGXRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c1-4(12)7-5(10)2-3-6(11)8(7)9/h2-3H,11H2,1H3.
What are the key properties of 1-(3-amino-2-chloro-6-fluorophenyl)ethanone?
1-(3-amino-2-chloro-6-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-(3-amino-2-chloro-6-fluorophenyl)ethanone is sourced from PubChem (CID 83410231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).