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

C16H10BrF2NO — CID 63456775

IUPAC2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H10BrF2NO/c17-11-3-1-10-8-12(4-2-9(10)7-11)21-16-14(20)6-5-13(18)15(16)19/h1-8H,20H2
InChIKeyACACVCBEVPGRKF-UHFFFAOYSA-N
MW350.16 g/mol
LogP5.26
Rot. Bonds2

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

2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline (PubChem CID 63456775) has the molecular formula C16H10BrF2NO and a molecular weight of 350.16 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline
PubChem CID63456775
Molecular FormulaC16H10BrF2NO
Molecular Weight350.16 g/mol
Exact Mass348.99
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1Oc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H10BrF2NO/c17-11-3-1-10-8-12(4-2-9(10)7-11)21-16-14(20)6-5-13(18)15(16)19/h1-8H,20H2
InChIKeyACACVCBEVPGRKF-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

4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline
CID 63456932
2-(6-bromonaphthalen-2-yl)oxy-4-fluoroaniline
CID 63456931
4-(6-bromonaphthalen-2-yl)oxy-2-methylaniline
CID 43436384
5-bromo-4-(6-bromonaphthalen-2-yl)oxypyridin-3-amine
CID 103518685
4-(6-bromonaphthalen-2-yl)oxy-2-methoxyaniline
CID 63675945
2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile
CID 62533029
4-(4-bromophenoxy)-6-chloro-5-fluorobenzene-1,3-diamine
CID 103553635
4-(6-amino-2,3-difluorophenoxy)pyridine-2-carboxamide
CID 57470879
4-(4-bromo-2-fluorophenoxy)-2-methylaniline
CID 43436412
2,6-dibromonaphthalene
CID 640591
2-(2-chloro-4-methylphenoxy)-3,4-difluoroaniline
CID 62670079
3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792425

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline (CID 63456775) is 2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline is Nc1ccc(F)c(F)c1Oc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline?
The InChIKey is ACACVCBEVPGRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2NO/c17-11-3-1-10-8-12(4-2-9(10)7-11)21-16-14(20)6-5-13(18)15(16)19/h1-8H,20H2.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline?
2-(6-bromonaphthalen-2-yl)oxy-3,4-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 2-(6-bromonaphthalen-2-yl)oxy-3,4-difluoroaniline is sourced from PubChem (CID 63456775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).