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

C8H7ClFNO — CID 81263230

IUPAC2-amino-1-(3-chloro-2-fluorophenyl)ethanone
SMILESNCC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C8H7ClFNO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H,4,11H2
InChIKeyVHWRWIJKHMBKEM-UHFFFAOYSA-N
MW187.60 g/mol
LogP1.62
Rot. Bonds2

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

2-amino-1-(3-chloro-2-fluorophenyl)ethanone (PubChem CID 81263230) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-chloro-2-fluorophenyl)ethanone
PubChem CID81263230
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name2-amino-1-(3-chloro-2-fluorophenyl)ethanone
SMILESNCC(=O)c1cccc(Cl)c1F
InChIInChI=1S/C8H7ClFNO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H,4,11H2
InChIKeyVHWRWIJKHMBKEM-UHFFFAOYSA-N
XLogP1.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
CID 122360971
1-(3-chloro-2-fluorophenyl)but-3-en-1-one
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1-(3-chloro-2-fluorophenyl)-3-methylbut-3-en-1-one
CID 79178675
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)ethanone
CID 102617677
2-chloroethyl 3-chloro-2-fluorobenzoate
CID 91722747
1-(3-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 64714673
tert-butyl 3-(3-chloro-2-fluorophenyl)-3-oxopropanoate
CID 170857454
N-[(2R)-1-aminopropan-2-yl]-3-chloro-2-fluorobenzamide
CID 104877144
2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone
CID 117286739
1-(3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanone
CID 64714143
3-chloro-2-fluoro-N,N-dimethylbenzamide
CID 80979607

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 2-amino-1-(3-chloro-2-fluorophenyl)ethanone (CID 81263230) is 2-amino-1-(3-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 2-amino-1-(3-chloro-2-fluorophenyl)ethanone is NCC(=O)c1cccc(Cl)c1F.
What is the InChIKey of 2-amino-1-(3-chloro-2-fluorophenyl)ethanone?
The InChIKey is VHWRWIJKHMBKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c9-6-3-1-2-5(8(6)10)7(12)4-11/h1-3H,4,11H2.
What are the key properties of 2-amino-1-(3-chloro-2-fluorophenyl)ethanone?
2-amino-1-(3-chloro-2-fluorophenyl)ethanone has a molecular weight of 187.60 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 81263230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).