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

C8H7ClFNO — CID 19068512

IUPAC2-amino-2-chloro-1-(3-fluorophenyl)ethanone
SMILESNC(Cl)C(=O)c1cccc(F)c1
InChIInChI=1S/C8H7ClFNO/c9-8(11)7(12)5-2-1-3-6(10)4-5/h1-4,8H,11H2
InChIKeyZAVXKVABUJUJQX-UHFFFAOYSA-N
MW187.60 g/mol
LogP1.53
Rot. Bonds2

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

2-amino-2-chloro-1-(3-fluorophenyl)ethanone (PubChem CID 19068512) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is 2-amino-2-chloro-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-amino-2-chloro-1-(3-fluorophenyl)ethanone
PubChem CID19068512
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name2-amino-2-chloro-1-(3-fluorophenyl)ethanone
SMILESNC(Cl)C(=O)c1cccc(F)c1
InChIInChI=1S/C8H7ClFNO/c9-8(11)7(12)5-2-1-3-6(10)4-5/h1-4,8H,11H2
InChIKeyZAVXKVABUJUJQX-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1,2-bis(3-fluorophenyl)ethanone
CID 21408832
1-(3-fluorophenyl)-2,2-dihydroxyethanone
CID 55282672
methyl 2-amino-3-(3-fluorophenyl)-3-oxopropanoate
CID 102028983
2-chloro-2-(3-fluorophenyl)acetamide
CID 62225850
2-amino-1-(3-fluorophenyl)-4-methylsulfonylbutan-1-one
CID 116552047
2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
CID 116567366
3-fluorobenzoyl bromide
CID 20822510
2,2,2-trichloro-1-(3-fluorophenyl)ethanone
CID 21200944
bismuth tris(3-fluorobenzoate)
CID 132504465
2-(ethylamino)-1-(3-fluorophenyl)propan-1-one
CID 91696120
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586938
(3R)-4-(3-fluorophenyl)-3-methyl-4-oxobutanenitrile
CID 94173994

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-chloro-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-amino-2-chloro-1-(3-fluorophenyl)ethanone (CID 19068512) is 2-amino-2-chloro-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-amino-2-chloro-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-amino-2-chloro-1-(3-fluorophenyl)ethanone is NC(Cl)C(=O)c1cccc(F)c1.
What is the InChIKey of 2-amino-2-chloro-1-(3-fluorophenyl)ethanone?
The InChIKey is ZAVXKVABUJUJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c9-8(11)7(12)5-2-1-3-6(10)4-5/h1-4,8H,11H2.
What are the key properties of 2-amino-2-chloro-1-(3-fluorophenyl)ethanone?
2-amino-2-chloro-1-(3-fluorophenyl)ethanone has a molecular weight of 187.60 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-chloro-1-(3-fluorophenyl)ethanone is sourced from PubChem (CID 19068512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).