2-(trifluoromethyl)aniline;hydrochloride

C7H7ClF3N — CID 22736790

IUPAC2-(trifluoromethyl)aniline;hydrochloride
SMILESCl.Nc1ccccc1C(F)(F)F
InChIInChI=1S/C7H6F3N.ClH/c8-7(9,10)5-3-1-2-4-6(5)11;/h1-4H,11H2;1H
InChIKeyYUKIREBYXQRLAG-UHFFFAOYSA-N
MW197.59 g/mol
LogP2.71
Rot. Bonds

About 2-(trifluoromethyl)aniline;hydrochloride

2-(trifluoromethyl)aniline;hydrochloride (PubChem CID 22736790) has the molecular formula C7H7ClF3N and a molecular weight of 197.59 g/mol. Its IUPAC name is 2-(trifluoromethyl)aniline;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)aniline;hydrochloride
PubChem CID22736790
Molecular FormulaC7H7ClF3N
Molecular Weight197.59 g/mol
Exact Mass197.02
IUPAC Name2-(trifluoromethyl)aniline;hydrochloride
SMILESCl.Nc1ccccc1C(F)(F)F
InChIInChI=1S/C7H6F3N.ClH/c8-7(9,10)5-3-1-2-4-6(5)11;/h1-4H,11H2;1H
InChIKeyYUKIREBYXQRLAG-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.59
LogP ≤ 52.71
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-(trifluoromethyl)aniline;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)aniline;hydrochloride (CID 22736790) is 2-(trifluoromethyl)aniline;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)aniline;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)aniline;hydrochloride is Cl.Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)aniline;hydrochloride?
The InChIKey is YUKIREBYXQRLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N.ClH/c8-7(9,10)5-3-1-2-4-6(5)11;/h1-4H,11H2;1H.
What are the key properties of 2-(trifluoromethyl)aniline;hydrochloride?
2-(trifluoromethyl)aniline;hydrochloride has a molecular weight of 197.59 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)aniline;hydrochloride is sourced from PubChem (CID 22736790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).