2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride

C8H8ClF2NO — CID 122360971

IUPAC2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1cccc(F)c1F
InChIInChI=1S/C8H7F2NO.ClH/c9-6-3-1-2-5(8(6)10)7(12)4-11;/h1-3H,4,11H2;1H
InChIKeyAWAAZOCTXISYME-UHFFFAOYSA-N
MW207.61 g/mol
LogP1.53
Rot. Bonds2

About 2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride

2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride (PubChem CID 122360971) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
PubChem CID122360971
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride
SMILESCl.NCC(=O)c1cccc(F)c1F
InChIInChI=1S/C8H7F2NO.ClH/c9-6-3-1-2-5(8(6)10)7(12)4-11;/h1-3H,4,11H2;1H
InChIKeyAWAAZOCTXISYME-UHFFFAOYSA-N
XLogP1.53
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2,3-difluorophenyl)propan-1-one;ethane
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2-amino-1-[2-(dimethylamino)-3-fluorophenyl]ethanone
CID 117115563
1-(2,3-difluorophenyl)but-3-en-1-one
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3-(aminomethyl)-1-(2,3-difluorophenyl)-5-methylhexan-1-one
CID 116576806
6-amino-1-(2,3-difluorophenyl)-4-methylhexan-1-one
CID 116581531
1-(2,3-difluorophenyl)-3-ethylpentan-1-one
CID 115795198
2-amino-1-[2-fluoro-3-(methoxymethyl)phenyl]ethanone
CID 117286739
2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone
CID 116578623
2,3-difluorobenzoyl bromide
CID 91168195
4-(2-aminoethyl)-1-(2,3-difluorophenyl)-5,5-dimethylhexan-1-one
CID 116578395

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride (CID 122360971) is 2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride is Cl.NCC(=O)c1cccc(F)c1F.
What is the InChIKey of 2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride?
The InChIKey is AWAAZOCTXISYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO.ClH/c9-6-3-1-2-5(8(6)10)7(12)4-11;/h1-3H,4,11H2;1H.
What are the key properties of 2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride?
2-amino-1-(2,3-difluorophenyl)ethanone;hydrochloride has a molecular weight of 207.61 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-1-(2,3-difluorophenyl)ethanone;hydrochloride is sourced from PubChem (CID 122360971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).