2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone

C9H9ClFNO — CID 84670314

IUPAC2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone
SMILESNCC(=O)c1ccc(CF)cc1Cl
InChIInChI=1S/C9H9ClFNO/c10-8-3-6(4-11)1-2-7(8)9(13)5-12/h1-3H,4-5,12H2
InChIKeyFIAFWRQSJWXZHU-UHFFFAOYSA-N
MW201.63 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone

2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone (PubChem CID 84670314) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone
PubChem CID84670314
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone
SMILESNCC(=O)c1ccc(CF)cc1Cl
InChIInChI=1S/C9H9ClFNO/c10-8-3-6(4-11)1-2-7(8)9(13)5-12/h1-3H,4-5,12H2
InChIKeyFIAFWRQSJWXZHU-UHFFFAOYSA-N
XLogP1.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone (CID 84670314) is 2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone is NCC(=O)c1ccc(CF)cc1Cl.
What is the InChIKey of 2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone?
The InChIKey is FIAFWRQSJWXZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-8-3-6(4-11)1-2-7(8)9(13)5-12/h1-3H,4-5,12H2.
What are the key properties of 2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone?
2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone has a molecular weight of 201.63 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-chloro-4-(fluoromethyl)phenyl]ethanone is sourced from PubChem (CID 84670314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).