2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride

C9H8ClF4NO — CID 66649987

IUPAC2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
SMILESCl.NCC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C9H7F4NO.ClH/c10-7-2-1-5(8(15)4-14)3-6(7)9(11,12)13;/h1-3H,4,14H2;1H
InChIKeyMWAREVYCFWUDTM-UHFFFAOYSA-N
MW257.61 g/mol
LogP2.41
Rot. Bonds2

About 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride

2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride (PubChem CID 66649987) has the molecular formula C9H8ClF4NO and a molecular weight of 257.61 g/mol. Its IUPAC name is 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
PubChem CID66649987
Molecular FormulaC9H8ClF4NO
Molecular Weight257.61 g/mol
Exact Mass257.02
IUPAC Name2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
SMILESCl.NCC(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C9H7F4NO.ClH/c10-7-2-1-5(8(15)4-14)3-6(7)9(11,12)13;/h1-3H,4,14H2;1H
InChIKeyMWAREVYCFWUDTM-UHFFFAOYSA-N
XLogP2.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.61
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[4-iodo-3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 122235395
4-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-one
CID 107291094
1-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114961945
2-amino-1-[3-iodo-4-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 122235413
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84698309
4-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-1-one
CID 107290977
4-fluoro-3-(trifluoromethyl)benzoate
CID 6921666
3-(dimethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
CID 107288258
2-(ethylamino)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 107290933
dimethyl 2-[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl]propanedioate
CID 137473779
N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride
CID 119524337
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114969279

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride (CID 66649987) is 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride is Cl.NCC(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride?
The InChIKey is MWAREVYCFWUDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO.ClH/c10-7-2-1-5(8(15)4-14)3-6(7)9(11,12)13;/h1-3H,4,14H2;1H.
What are the key properties of 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride?
2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride has a molecular weight of 257.61 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 66649987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).