1-chloro-7-(trifluoromethyl)naphthalen-2-amine

C11H7ClF3N — CID 18451487

IUPAC1-chloro-7-(trifluoromethyl)naphthalen-2-amine
SMILESNc1ccc2ccc(C(F)(F)F)cc2c1Cl
InChIInChI=1S/C11H7ClF3N/c12-10-8-5-7(11(13,14)15)3-1-6(8)2-4-9(10)16/h1-5H,16H2
InChIKeyVUFRMWOIVPYTJO-UHFFFAOYSA-N
MW245.63 g/mol
LogP4.09
Rot. Bonds

About 1-chloro-7-(trifluoromethyl)naphthalen-2-amine

1-chloro-7-(trifluoromethyl)naphthalen-2-amine (PubChem CID 18451487) has the molecular formula C11H7ClF3N and a molecular weight of 245.63 g/mol. Its IUPAC name is 1-chloro-7-(trifluoromethyl)naphthalen-2-amine.

Molecular Properties

Compound Name1-chloro-7-(trifluoromethyl)naphthalen-2-amine
PubChem CID18451487
Molecular FormulaC11H7ClF3N
Molecular Weight245.63 g/mol
Exact Mass245.02
IUPAC Name1-chloro-7-(trifluoromethyl)naphthalen-2-amine
SMILESNc1ccc2ccc(C(F)(F)F)cc2c1Cl
InChIInChI=1S/C11H7ClF3N/c12-10-8-5-7(11(13,14)15)3-1-6(8)2-4-9(10)16/h1-5H,16H2
InChIKeyVUFRMWOIVPYTJO-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.63
LogP ≤ 54.09
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-chloro-7-(trifluoromethyl)naphthalen-2-amine?
The IUPAC name of 1-chloro-7-(trifluoromethyl)naphthalen-2-amine (CID 18451487) is 1-chloro-7-(trifluoromethyl)naphthalen-2-amine.
What is the SMILES notation for 1-chloro-7-(trifluoromethyl)naphthalen-2-amine?
The canonical SMILES for 1-chloro-7-(trifluoromethyl)naphthalen-2-amine is Nc1ccc2ccc(C(F)(F)F)cc2c1Cl.
What is the InChIKey of 1-chloro-7-(trifluoromethyl)naphthalen-2-amine?
The InChIKey is VUFRMWOIVPYTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N/c12-10-8-5-7(11(13,14)15)3-1-6(8)2-4-9(10)16/h1-5H,16H2.
What are the key properties of 1-chloro-7-(trifluoromethyl)naphthalen-2-amine?
1-chloro-7-(trifluoromethyl)naphthalen-2-amine has a molecular weight of 245.63 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-(trifluoromethyl)naphthalen-2-amine is sourced from PubChem (CID 18451487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).