2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride

C10H11ClF3NO — CID 141033390

IUPAC2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
SMILESCC(N)C(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H10F3NO.ClH/c1-6(14)9(15)7-3-2-4-8(5-7)10(11,12)13;/h2-6H,14H2,1H3;1H
InChIKeyBMORRTFGFVJWBC-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.66
Rot. Bonds2

About 2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride

2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride (PubChem CID 141033390) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
PubChem CID141033390
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
SMILESCC(N)C(=O)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H10F3NO.ClH/c1-6(14)9(15)7-3-2-4-8(5-7)10(11,12)13;/h2-6H,14H2,1H3;1H
InChIKeyBMORRTFGFVJWBC-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

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2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one
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2-amino-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
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2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
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N-(1-amino-2-methylprop-2-enyl)-3-(trifluoromethyl)benzamide
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N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride (CID 141033390) is 2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride is CC(N)C(=O)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride?
The InChIKey is BMORRTFGFVJWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO.ClH/c1-6(14)9(15)7-3-2-4-8(5-7)10(11,12)13;/h2-6H,14H2,1H3;1H.
What are the key properties of 2-amino-1-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride?
2-amino-1-[3-(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-[3-(trifluoromethyl)phenyl]propan-1-one;hydrochloride is sourced from PubChem (CID 141033390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).