4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline

C17H12F3NO — CID 12774065

IUPAC4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc3ccccc3c2)c(C(F)(F)F)c1
InChIInChI=1S/C17H12F3NO/c18-17(19,20)15-10-13(21)6-8-16(15)22-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,21H2
InChIKeyAVRAIKCZBQKOFX-UHFFFAOYSA-N
MW303.28 g/mol
LogP5.23
Rot. Bonds2

About 4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline

4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline (PubChem CID 12774065) has the molecular formula C17H12F3NO and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline
PubChem CID12774065
Molecular FormulaC17H12F3NO
Molecular Weight303.28 g/mol
Exact Mass303.09
IUPAC Name4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc3ccccc3c2)c(C(F)(F)F)c1
InChIInChI=1S/C17H12F3NO/c18-17(19,20)15-10-13(21)6-8-16(15)22-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,21H2
InChIKeyAVRAIKCZBQKOFX-UHFFFAOYSA-N
XLogP5.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.28
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline?
The IUPAC name of 4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline (CID 12774065) is 4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline is Nc1ccc(Oc2ccc3ccccc3c2)c(C(F)(F)F)c1.
What is the InChIKey of 4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline?
The InChIKey is AVRAIKCZBQKOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO/c18-17(19,20)15-10-13(21)6-8-16(15)22-14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,21H2.
What are the key properties of 4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline?
4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline has a molecular weight of 303.28 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxy-3-(trifluoromethyl)aniline is sourced from PubChem (CID 12774065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).