2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride

C10H11ClF3NO — CID 157105936

IUPAC2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
SMILESCC(N)C(=O)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C10H10F3NO.ClH/c1-6(14)9(15)7-4-2-3-5-8(7)10(11,12)13;/h2-6H,14H2,1H3;1H
InChIKeyAGHLWDIBAZQEKV-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.66
Rot. Bonds2

About 2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride

2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride (PubChem CID 157105936) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
PubChem CID157105936
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
SMILESCC(N)C(=O)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C10H10F3NO.ClH/c1-6(14)9(15)7-4-2-3-5-8(7)10(11,12)13;/h2-6H,14H2,1H3;1H
InChIKeyAGHLWDIBAZQEKV-UHFFFAOYSA-N
XLogP2.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(2-sulfanylphenyl)propan-1-one
CID 91120134
2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 114971304
tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-[2-(trifluoromethyl)benzoyl]butanoate
CID 140973902
2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one
CID 84688472
ethyl 2-chloro-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
CID 86649590
2-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-one
CID 116708193
2-amino-1-[2-(difluoromethyl)phenyl]propan-1-one
CID 84668702
2-amino-1-[2-(1-fluoroethyl)phenyl]propan-1-one
CID 84666194
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
methyl 2-(trifluoromethyl)benzoate
CID 2775578
2-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-one
CID 146009043
potassium 2-(trifluoromethyl)benzoate
CID 162538888

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride (CID 157105936) is 2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride is CC(N)C(=O)c1ccccc1C(F)(F)F.Cl.
What is the InChIKey of 2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride?
The InChIKey is AGHLWDIBAZQEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO.ClH/c1-6(14)9(15)7-4-2-3-5-8(7)10(11,12)13;/h2-6H,14H2,1H3;1H.
What are the key properties of 2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride?
2-amino-1-[2-(trifluoromethyl)phenyl]propan-1-one;hydrochloride has a molecular weight of 253.65 g/mol, XLogP of 2.66, 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-(trifluoromethyl)phenyl]propan-1-one;hydrochloride is sourced from PubChem (CID 157105936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).