4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline

C16H10BrF2NO — CID 63456932

IUPAC4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline
SMILESNc1cc(F)c(Oc2ccc3cc(Br)ccc3c2)c(F)c1
InChIInChI=1S/C16H10BrF2NO/c17-11-3-1-10-6-13(4-2-9(10)5-11)21-16-14(18)7-12(20)8-15(16)19/h1-8H,20H2
InChIKeyFJSDZXSGSUBMHI-UHFFFAOYSA-N
MW350.16 g/mol
LogP5.26
Rot. Bonds2

About 4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline

4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline (PubChem CID 63456932) has the molecular formula C16H10BrF2NO and a molecular weight of 350.16 g/mol. Its IUPAC name is 4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline.

Molecular Properties

Compound Name4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline
PubChem CID63456932
Molecular FormulaC16H10BrF2NO
Molecular Weight350.16 g/mol
Exact Mass348.99
IUPAC Name4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline
SMILESNc1cc(F)c(Oc2ccc3cc(Br)ccc3c2)c(F)c1
InChIInChI=1S/C16H10BrF2NO/c17-11-3-1-10-6-13(4-2-9(10)5-11)21-16-14(18)7-12(20)8-15(16)19/h1-8H,20H2
InChIKeyFJSDZXSGSUBMHI-UHFFFAOYSA-N
XLogP5.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.16
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline
CID 63456775
6-bromo-4-fluoronaphthalen-2-amine
CID 115043475
5-bromo-4-(6-bromonaphthalen-2-yl)oxypyridin-3-amine
CID 103518685
3-(6-bromonaphthalen-2-yl)oxy-5-methylaniline
CID 115980929
4-(4-bromo-2-chlorophenoxy)-3,5-difluoroaniline
CID 54902585
2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline
CID 63456931
3,5-difluoro-4-(3-fluorophenoxy)aniline
CID 54902903
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
3,5-difluoro-4-(4-methylsulfanylphenoxy)aniline
CID 63649307
4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline
CID 66093379
2,6-dibromonaphthalene
CID 640591
4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
CID 63675945

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline?
The IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline (CID 63456932) is 4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline.
What is the SMILES notation for 4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline?
The canonical SMILES for 4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline is Nc1cc(F)c(Oc2ccc3cc(Br)ccc3c2)c(F)c1.
What is the InChIKey of 4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline?
The InChIKey is FJSDZXSGSUBMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2NO/c17-11-3-1-10-6-13(4-2-9(10)5-11)21-16-14(18)7-12(20)8-15(16)19/h1-8H,20H2.
What are the key properties of 4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline?
4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline has a molecular weight of 350.16 g/mol, XLogP of 5.26, 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-3,5-difluoroaniline is sourced from PubChem (CID 63456932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).