4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline

C16H11BrFNO — CID 28972716

IUPAC4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline
SMILESNc1ccc(Oc2ccc3cc(Br)ccc3c2)c(F)c1
InChIInChI=1S/C16H11BrFNO/c17-12-3-1-11-8-14(5-2-10(11)7-12)20-16-6-4-13(19)9-15(16)18/h1-9H,19H2
InChIKeyASLPZSUDSVYXRB-UHFFFAOYSA-N
MW332.17 g/mol
LogP5.12
Rot. Bonds2

About 4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline

4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline (PubChem CID 28972716) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is 4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline.

Molecular Properties

Compound Name4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline
PubChem CID28972716
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline
SMILESNc1ccc(Oc2ccc3cc(Br)ccc3c2)c(F)c1
InChIInChI=1S/C16H11BrFNO/c17-12-3-1-11-8-14(5-2-10(11)7-12)20-16-6-4-13(19)9-15(16)18/h1-9H,19H2
InChIKeyASLPZSUDSVYXRB-UHFFFAOYSA-N
XLogP5.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.17
LogP ≤ 55.12
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-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline?
The IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline (CID 28972716) is 4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline.
What is the SMILES notation for 4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline?
The canonical SMILES for 4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline is Nc1ccc(Oc2ccc3cc(Br)ccc3c2)c(F)c1.
What is the InChIKey of 4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline?
The InChIKey is ASLPZSUDSVYXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c17-12-3-1-11-8-14(5-2-10(11)7-12)20-16-6-4-13(19)9-15(16)18/h1-9H,19H2.
What are the key properties of 4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline?
4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline has a molecular weight of 332.17 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromonaphthalen-2-yl)oxy-3-fluoroaniline is sourced from PubChem (CID 28972716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).