1-(trifluoromethyl)naphthalen-2-amine

C11H8F3N — CID 10398225

IUPAC1-(trifluoromethyl)naphthalen-2-amine
SMILESNc1ccc2ccccc2c1C(F)(F)F
InChIInChI=1S/C11H8F3N/c12-11(13,14)10-8-4-2-1-3-7(8)5-6-9(10)15/h1-6H,15H2
InChIKeyPTKWKSXFYPTSGY-UHFFFAOYSA-N
MW211.19 g/mol
LogP3.44
Rot. Bonds

About 1-(trifluoromethyl)naphthalen-2-amine

1-(trifluoromethyl)naphthalen-2-amine (PubChem CID 10398225) has the molecular formula C11H8F3N and a molecular weight of 211.19 g/mol. Its IUPAC name is 1-(trifluoromethyl)naphthalen-2-amine.

Molecular Properties

Compound Name1-(trifluoromethyl)naphthalen-2-amine
PubChem CID10398225
Molecular FormulaC11H8F3N
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name1-(trifluoromethyl)naphthalen-2-amine
SMILESNc1ccc2ccccc2c1C(F)(F)F
InChIInChI=1S/C11H8F3N/c12-11(13,14)10-8-4-2-1-3-7(8)5-6-9(10)15/h1-6H,15H2
InChIKeyPTKWKSXFYPTSGY-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 53.44
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 1-(trifluoromethyl)naphthalen-2-amine?
The IUPAC name of 1-(trifluoromethyl)naphthalen-2-amine (CID 10398225) is 1-(trifluoromethyl)naphthalen-2-amine.
What is the SMILES notation for 1-(trifluoromethyl)naphthalen-2-amine?
The canonical SMILES for 1-(trifluoromethyl)naphthalen-2-amine is Nc1ccc2ccccc2c1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)naphthalen-2-amine?
The InChIKey is PTKWKSXFYPTSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N/c12-11(13,14)10-8-4-2-1-3-7(8)5-6-9(10)15/h1-6H,15H2.
What are the key properties of 1-(trifluoromethyl)naphthalen-2-amine?
1-(trifluoromethyl)naphthalen-2-amine has a molecular weight of 211.19 g/mol, XLogP of 3.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)naphthalen-2-amine is sourced from PubChem (CID 10398225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).