2,4-difluoro-6-naphthalen-1-yloxyaniline

C16H11F2NO — CID 115507262

IUPAC2,4-difluoro-6-naphthalen-1-yloxyaniline
SMILESNc1c(F)cc(F)cc1Oc1cccc2ccccc12
InChIInChI=1S/C16H11F2NO/c17-11-8-13(18)16(19)15(9-11)20-14-7-3-5-10-4-1-2-6-12(10)14/h1-9H,19H2
InChIKeyUKHFYDNBTPTNIH-UHFFFAOYSA-N
MW271.27 g/mol
LogP4.49
Rot. Bonds2

About 2,4-difluoro-6-naphthalen-1-yloxyaniline

2,4-difluoro-6-naphthalen-1-yloxyaniline (PubChem CID 115507262) has the molecular formula C16H11F2NO and a molecular weight of 271.27 g/mol. Its IUPAC name is 2,4-difluoro-6-naphthalen-1-yloxyaniline.

Molecular Properties

Compound Name2,4-difluoro-6-naphthalen-1-yloxyaniline
PubChem CID115507262
Molecular FormulaC16H11F2NO
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2,4-difluoro-6-naphthalen-1-yloxyaniline
SMILESNc1c(F)cc(F)cc1Oc1cccc2ccccc12
InChIInChI=1S/C16H11F2NO/c17-11-8-13(18)16(19)15(9-11)20-14-7-3-5-10-4-1-2-6-12(10)14/h1-9H,19H2
InChIKeyUKHFYDNBTPTNIH-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 54.49
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-(2-amino-3,5-difluorophenoxy)phenyl]methanol
CID 113325423
2,4-difluoro-6-(2-methoxyphenoxy)aniline
CID 115507261
2-(2-ethylphenoxy)-4,6-difluoroaniline
CID 113325409
2,4-difluoro-6-(4-fluorophenoxy)aniline
CID 113325387
5-chloro-4-fluoro-2-naphthalen-1-yloxyaniline
CID 66076535
1-(2,6-difluorophenoxy)naphthalene
CID 90910204
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
1-[4-(chloromethyl)-2,6-difluorophenoxy]naphthalene
CID 63565884
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-4,6-difluoroaniline
CID 115507250
1-(2-fluoro-6-naphthalen-1-yloxyphenyl)ethanol
CID 43506509
2-naphthalen-1-yloxy-1-(2-naphthalen-1-yloxynaphthalen-1-yl)naphthalene
CID 58689928
3-fluoro-5-naphthalen-1-yloxyaniline;N-(3-fluoro-5-phenoxyphenyl)hydroxylamine
CID 159187818

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-naphthalen-1-yloxyaniline?
The IUPAC name of 2,4-difluoro-6-naphthalen-1-yloxyaniline (CID 115507262) is 2,4-difluoro-6-naphthalen-1-yloxyaniline.
What is the SMILES notation for 2,4-difluoro-6-naphthalen-1-yloxyaniline?
The canonical SMILES for 2,4-difluoro-6-naphthalen-1-yloxyaniline is Nc1c(F)cc(F)cc1Oc1cccc2ccccc12.
What is the InChIKey of 2,4-difluoro-6-naphthalen-1-yloxyaniline?
The InChIKey is UKHFYDNBTPTNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO/c17-11-8-13(18)16(19)15(9-11)20-14-7-3-5-10-4-1-2-6-12(10)14/h1-9H,19H2.
What are the key properties of 2,4-difluoro-6-naphthalen-1-yloxyaniline?
2,4-difluoro-6-naphthalen-1-yloxyaniline has a molecular weight of 271.27 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-naphthalen-1-yloxyaniline is sourced from PubChem (CID 115507262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).