1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride

C9H10Cl2FNO — CID 66922414

IUPAC1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride
SMILESCl.NCC(=O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFNO.ClH/c10-8-2-1-6(4-9(8)11)3-7(13)5-12;/h1-2,4H,3,5,12H2;1H
InChIKeyWDACZQUSMOYTCC-UHFFFAOYSA-N
MW238.09 g/mol
LogP1.97
Rot. Bonds3

About 1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride

1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride (PubChem CID 66922414) has the molecular formula C9H10Cl2FNO and a molecular weight of 238.09 g/mol. Its IUPAC name is 1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride.

Molecular Properties

Compound Name1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride
PubChem CID66922414
Molecular FormulaC9H10Cl2FNO
Molecular Weight238.09 g/mol
Exact Mass237.01
IUPAC Name1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride
SMILESCl.NCC(=O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFNO.ClH/c10-8-2-1-6(4-9(8)11)3-7(13)5-12;/h1-2,4H,3,5,12H2;1H
InChIKeyWDACZQUSMOYTCC-UHFFFAOYSA-N
XLogP1.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 51.97
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-chloro-3-fluorophenyl)propan-2-one;hydrochloride?
The IUPAC name of 1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride (CID 66922414) is 1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride.
What is the SMILES notation for 1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride?
The canonical SMILES for 1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride is Cl.NCC(=O)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride?
The InChIKey is WDACZQUSMOYTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO.ClH/c10-8-2-1-6(4-9(8)11)3-7(13)5-12;/h1-2,4H,3,5,12H2;1H.
What are the key properties of 1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride?
1-amino-3-(4-chloro-3-fluorophenyl)propan-2-one;hydrochloride has a molecular weight of 238.09 g/mol, XLogP of 1.97, 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-chloro-3-fluorophenyl)propan-2-one;hydrochloride is sourced from PubChem (CID 66922414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).