2,4-difluoro-6-(oxan-4-yloxy)aniline

C11H13F2NO2 — CID 115507352

IUPAC2,4-difluoro-6-(oxan-4-yloxy)aniline
SMILESNc1c(F)cc(F)cc1OC1CCOCC1
InChIInChI=1S/C11H13F2NO2/c12-7-5-9(13)11(14)10(6-7)16-8-1-3-15-4-2-8/h5-6,8H,1-4,14H2
InChIKeyVYJJZDIAHAGTKO-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.10
Rot. Bonds2

About 2,4-difluoro-6-(oxan-4-yloxy)aniline

2,4-difluoro-6-(oxan-4-yloxy)aniline (PubChem CID 115507352) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2,4-difluoro-6-(oxan-4-yloxy)aniline.

Molecular Properties

Compound Name2,4-difluoro-6-(oxan-4-yloxy)aniline
PubChem CID115507352
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2,4-difluoro-6-(oxan-4-yloxy)aniline
SMILESNc1c(F)cc(F)cc1OC1CCOCC1
InChIInChI=1S/C11H13F2NO2/c12-7-5-9(13)11(14)10(6-7)16-8-1-3-15-4-2-8/h5-6,8H,1-4,14H2
InChIKeyVYJJZDIAHAGTKO-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline
CID 115507283
1-[5-fluoro-2-(oxan-4-yloxy)phenyl]piperidin-4-amine
CID 63936921
2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine
CID 117386204
4-fluoro-6-(oxan-4-yloxy)pyridin-3-amine
CID 162439941
3-(oxan-4-yloxy)pyridin-4-amine
CID 126982739
2-(oxan-4-yloxy)-5-(trifluoromethyl)aniline
CID 61269565
[2-fluoro-6-(oxan-4-yloxy)phenyl]methanamine
CID 63937815
4-(2,6-difluoro-4-isocyanatophenoxy)oxane
CID 169354891
5-iodo-2-(oxan-4-yloxy)aniline
CID 58221541
5-methyl-2-(oxan-4-yloxy)aniline
CID 61267533
N-(2,3,5-trifluorophenyl)oxan-4-amine
CID 62810329
3-fluoro-4-(oxan-4-yloxy)benzenesulfonyl chloride
CID 63935612

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(oxan-4-yloxy)aniline?
The IUPAC name of 2,4-difluoro-6-(oxan-4-yloxy)aniline (CID 115507352) is 2,4-difluoro-6-(oxan-4-yloxy)aniline.
What is the SMILES notation for 2,4-difluoro-6-(oxan-4-yloxy)aniline?
The canonical SMILES for 2,4-difluoro-6-(oxan-4-yloxy)aniline is Nc1c(F)cc(F)cc1OC1CCOCC1.
What is the InChIKey of 2,4-difluoro-6-(oxan-4-yloxy)aniline?
The InChIKey is VYJJZDIAHAGTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c12-7-5-9(13)11(14)10(6-7)16-8-1-3-15-4-2-8/h5-6,8H,1-4,14H2.
What are the key properties of 2,4-difluoro-6-(oxan-4-yloxy)aniline?
2,4-difluoro-6-(oxan-4-yloxy)aniline has a molecular weight of 229.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(oxan-4-yloxy)aniline is sourced from PubChem (CID 115507352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).