5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline

C16H11ClFNO — CID 66076535

IUPAC5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline
SMILESNc1cc(Cl)c(F)cc1Oc1cccc2ccccc12
InChIInChI=1S/C16H11ClFNO/c17-12-8-14(19)16(9-13(12)18)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-9H,19H2
InChIKeyJHIFSNCDVHCNEG-UHFFFAOYSA-N
MW287.72 g/mol
LogP5.01
Rot. Bonds2

About 5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline

5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline (PubChem CID 66076535) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline
PubChem CID66076535
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline
SMILESNc1cc(Cl)c(F)cc1Oc1cccc2ccccc12
InChIInChI=1S/C16H11ClFNO/c17-12-8-14(19)16(9-13(12)18)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-9H,19H2
InChIKeyJHIFSNCDVHCNEG-UHFFFAOYSA-N
XLogP5.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.72
LogP ≤ 55.01
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 5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline?
The IUPAC name of 5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline (CID 66076535) is 5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline.
What is the SMILES notation for 5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline?
The canonical SMILES for 5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline is Nc1cc(Cl)c(F)cc1Oc1cccc2ccccc12.
What is the InChIKey of 5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline?
The InChIKey is JHIFSNCDVHCNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c17-12-8-14(19)16(9-13(12)18)20-15-7-3-5-10-4-1-2-6-11(10)15/h1-9H,19H2.
What are the key properties of 5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline?
5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline has a molecular weight of 287.72 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline is sourced from PubChem (CID 66076535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).