2-chloro-5-(trifluoromethyl)aniline;hydrochloride

C7H6Cl2F3N — CID 44521991

IUPAC2-chloro-5-(trifluoromethyl)aniline;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C7H5ClF3N.ClH/c8-5-2-1-4(3-6(5)12)7(9,10)11;/h1-3H,12H2;1H
InChIKeyRQJRPJUZTWJZLA-UHFFFAOYSA-N
MW232.03 g/mol
LogP3.36
Rot. Bonds

About 2-chloro-5-(trifluoromethyl)aniline;hydrochloride

2-chloro-5-(trifluoromethyl)aniline;hydrochloride (PubChem CID 44521991) has the molecular formula C7H6Cl2F3N and a molecular weight of 232.03 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)aniline;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)aniline;hydrochloride
PubChem CID44521991
Molecular FormulaC7H6Cl2F3N
Molecular Weight232.03 g/mol
Exact Mass230.98
IUPAC Name2-chloro-5-(trifluoromethyl)aniline;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C7H5ClF3N.ClH/c8-5-2-1-4(3-6(5)12)7(9,10)11;/h1-3H,12H2;1H
InChIKeyRQJRPJUZTWJZLA-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)aniline;hydrochloride?
The IUPAC name of 2-chloro-5-(trifluoromethyl)aniline;hydrochloride (CID 44521991) is 2-chloro-5-(trifluoromethyl)aniline;hydrochloride.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)aniline;hydrochloride?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)aniline;hydrochloride is Cl.Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)aniline;hydrochloride?
The InChIKey is RQJRPJUZTWJZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N.ClH/c8-5-2-1-4(3-6(5)12)7(9,10)11;/h1-3H,12H2;1H.
What are the key properties of 2-chloro-5-(trifluoromethyl)aniline;hydrochloride?
2-chloro-5-(trifluoromethyl)aniline;hydrochloride has a molecular weight of 232.03 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)aniline;hydrochloride is sourced from PubChem (CID 44521991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).