1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride

C10H11ClF3NO — CID 53403164

IUPAC1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride
SMILESCl.NCC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO.ClH/c11-10(12,13)8-3-1-7(2-4-8)5-9(15)6-14;/h1-4H,5-6,14H2;1H
InChIKeyUFAJYEFIBAGDKL-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.20
Rot. Bonds3

About 1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride

1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride (PubChem CID 53403164) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride.

Molecular Properties

Compound Name1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride
PubChem CID53403164
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride
SMILESCl.NCC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO.ClH/c11-10(12,13)8-3-1-7(2-4-8)5-9(15)6-14;/h1-4H,5-6,14H2;1H
InChIKeyUFAJYEFIBAGDKL-UHFFFAOYSA-N
XLogP2.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride?
The IUPAC name of 1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride (CID 53403164) is 1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride.
What is the SMILES notation for 1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride?
The canonical SMILES for 1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride is Cl.NCC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride?
The InChIKey is UFAJYEFIBAGDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO.ClH/c11-10(12,13)8-3-1-7(2-4-8)5-9(15)6-14;/h1-4H,5-6,14H2;1H.
What are the key properties of 1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride?
1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride has a molecular weight of 253.65 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-(trifluoromethyl)phenyl]propan-2-one;hydrochloride is sourced from PubChem (CID 53403164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).