1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone

C9H9ClFNO2 — CID 171018157

IUPAC1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone
SMILESCOc1cc(N)c(C(=O)CCl)c(F)c1
InChIInChI=1S/C9H9ClFNO2/c1-14-5-2-6(11)9(7(12)3-5)8(13)4-10/h2-3H,4,12H2,1H3
InChIKeyHQUKTMQVUOSONE-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.84
Rot. Bonds3

About 1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone

1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone (PubChem CID 171018157) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is 1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone
PubChem CID171018157
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone
SMILESCOc1cc(N)c(C(=O)CCl)c(F)c1
InChIInChI=1S/C9H9ClFNO2/c1-14-5-2-6(11)9(7(12)3-5)8(13)4-10/h2-3H,4,12H2,1H3
InChIKeyHQUKTMQVUOSONE-UHFFFAOYSA-N
XLogP1.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-6-fluoro-4-methylphenyl)-2-chloroethanone
CID 171018223
1-(2,6-difluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 60965545
2-bromo-1-(2-chloro-6-fluoro-4-methoxyphenyl)ethanone
CID 86690850
2-chloro-1-(3,5-dimethoxyphenyl)ethanone
CID 12526559
1-(2-bromo-4-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004198
2-chloro-1-(2-chloro-6-iodo-4-methoxyphenyl)ethanone
CID 171003358
(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 60965946
1-(3-amino-5-fluoro-2-methoxyphenyl)-2-chloroethanone
CID 171018548
2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone
CID 84785712
ethyl 2-fluoro-4,6-dimethoxybenzoate
CID 134644513
(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187510
1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone?
The IUPAC name of 1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone (CID 171018157) is 1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone.
What is the SMILES notation for 1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone?
The canonical SMILES for 1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone is COc1cc(N)c(C(=O)CCl)c(F)c1.
What is the InChIKey of 1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone?
The InChIKey is HQUKTMQVUOSONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-14-5-2-6(11)9(7(12)3-5)8(13)4-10/h2-3H,4,12H2,1H3.
What are the key properties of 1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone?
1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone has a molecular weight of 217.63 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone is sourced from PubChem (CID 171018157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).