3,5-difluoro-2-(oxan-3-yloxy)aniline

C11H13F2NO2 — CID 166931502

IUPAC3,5-difluoro-2-(oxan-3-yloxy)aniline
SMILESNc1cc(F)cc(F)c1OC1CCCOC1
InChIInChI=1S/C11H13F2NO2/c12-7-4-9(13)11(10(14)5-7)16-8-2-1-3-15-6-8/h4-5,8H,1-3,6,14H2
InChIKeyIQHLMIPRAWDTQT-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.10
Rot. Bonds2

About 3,5-difluoro-2-(oxan-3-yloxy)aniline

3,5-difluoro-2-(oxan-3-yloxy)aniline (PubChem CID 166931502) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3,5-difluoro-2-(oxan-3-yloxy)aniline.

Molecular Properties

Compound Name3,5-difluoro-2-(oxan-3-yloxy)aniline
PubChem CID166931502
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name3,5-difluoro-2-(oxan-3-yloxy)aniline
SMILESNc1cc(F)cc(F)c1OC1CCCOC1
InChIInChI=1S/C11H13F2NO2/c12-7-4-9(13)11(10(14)5-7)16-8-2-1-3-15-6-8/h4-5,8H,1-3,6,14H2
InChIKeyIQHLMIPRAWDTQT-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

N-[[3,5-difluoro-4-(oxan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 107134472
5-chloro-2-(oxan-3-yloxy)aniline
CID 107134074
(3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane
CID 121407954
3-(4-fluoro-3-methylphenoxy)oxane
CID 107137923
3-(3-bromo-4-fluorophenoxy)oxane
CID 107134793
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
4-cyclobutyloxy-3,5-difluoroaniline
CID 62115960
3-fluoro-5-(methylaminomethyl)-4-[(3R)-oxolan-3-yl]oxyaniline
CID 131733883
3-fluoro-5-(methylaminomethyl)-4-[(3S)-oxolan-3-yl]oxyaniline
CID 131733886
2-[(3R)-oxan-3-yl]oxypyridin-3-amine
CID 58413066
3,5-difluoro-4-(oxolan-3-yloxy)benzenecarboximidamide
CID 81293659
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-(oxan-3-yloxy)aniline?
The IUPAC name of 3,5-difluoro-2-(oxan-3-yloxy)aniline (CID 166931502) is 3,5-difluoro-2-(oxan-3-yloxy)aniline.
What is the SMILES notation for 3,5-difluoro-2-(oxan-3-yloxy)aniline?
The canonical SMILES for 3,5-difluoro-2-(oxan-3-yloxy)aniline is Nc1cc(F)cc(F)c1OC1CCCOC1.
What is the InChIKey of 3,5-difluoro-2-(oxan-3-yloxy)aniline?
The InChIKey is IQHLMIPRAWDTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c12-7-4-9(13)11(10(14)5-7)16-8-2-1-3-15-6-8/h4-5,8H,1-3,6,14H2.
What are the key properties of 3,5-difluoro-2-(oxan-3-yloxy)aniline?
3,5-difluoro-2-(oxan-3-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 3,5-difluoro-2-(oxan-3-yloxy)aniline is sourced from PubChem (CID 166931502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).