2,4-difluoro-6-(furan-2-ylmethoxy)aniline

C11H9F2NO2 — CID 115507233

IUPAC2,4-difluoro-6-(furan-2-ylmethoxy)aniline
SMILESNc1c(F)cc(F)cc1OCc1ccco1
InChIInChI=1S/C11H9F2NO2/c12-7-4-9(13)11(14)10(5-7)16-6-8-2-1-3-15-8/h1-5H,6,14H2
InChIKeyMRTTYUWLXOVUBO-UHFFFAOYSA-N
MW225.19 g/mol
LogP2.72
Rot. Bonds3

About 2,4-difluoro-6-(furan-2-ylmethoxy)aniline

2,4-difluoro-6-(furan-2-ylmethoxy)aniline (PubChem CID 115507233) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is 2,4-difluoro-6-(furan-2-ylmethoxy)aniline.

Molecular Properties

Compound Name2,4-difluoro-6-(furan-2-ylmethoxy)aniline
PubChem CID115507233
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name2,4-difluoro-6-(furan-2-ylmethoxy)aniline
SMILESNc1c(F)cc(F)cc1OCc1ccco1
InChIInChI=1S/C11H9F2NO2/c12-7-4-9(13)11(14)10(5-7)16-6-8-2-1-3-15-8/h1-5H,6,14H2
InChIKeyMRTTYUWLXOVUBO-UHFFFAOYSA-N
XLogP2.72
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.72
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

4-[4-amino-3-(furan-2-ylmethoxy)phenyl]-2-(furan-2-ylmethoxy)aniline
CID 22741608
2-[(2-fluoro-3-methylphenoxy)methyl]furan
CID 107661924
[2-fluoro-6-(furan-2-ylmethoxy)phenyl]methanamine
CID 79516547
2-(2-amino-3,5-difluorophenoxy)ethanol
CID 115507300
2,4-difluoro-6-(2-methoxyethoxy)aniline
CID 115507275
2-(1,3-benzodioxol-5-ylmethoxy)-4,6-difluoroaniline
CID 115507284
4-amino-3-(furan-2-ylmethoxy)benzonitrile
CID 104712381
N-[3-fluoro-4-(furan-2-ylmethoxy)phenyl]formamide
CID 168652630
1,5-difluoro-2-nitro-3-phenylmethoxybenzene;2,4-difluoro-6-phenylmethoxyaniline
CID 160758760
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan
CID 59709312
3,5-difluoro-4-(furan-2-ylmethoxy)benzoic acid
CID 63183787
[4-(furan-2-ylmethoxy)-3-methylphenyl]methanamine
CID 60929324

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(furan-2-ylmethoxy)aniline?
The IUPAC name of 2,4-difluoro-6-(furan-2-ylmethoxy)aniline (CID 115507233) is 2,4-difluoro-6-(furan-2-ylmethoxy)aniline.
What is the SMILES notation for 2,4-difluoro-6-(furan-2-ylmethoxy)aniline?
The canonical SMILES for 2,4-difluoro-6-(furan-2-ylmethoxy)aniline is Nc1c(F)cc(F)cc1OCc1ccco1.
What is the InChIKey of 2,4-difluoro-6-(furan-2-ylmethoxy)aniline?
The InChIKey is MRTTYUWLXOVUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO2/c12-7-4-9(13)11(14)10(5-7)16-6-8-2-1-3-15-8/h1-5H,6,14H2.
What are the key properties of 2,4-difluoro-6-(furan-2-ylmethoxy)aniline?
2,4-difluoro-6-(furan-2-ylmethoxy)aniline has a molecular weight of 225.19 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(furan-2-ylmethoxy)aniline is sourced from PubChem (CID 115507233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).