3,5-difluoro-4-(methoxymethoxy)aniline

C8H9F2NO2 — CID 68615412

IUPAC3,5-difluoro-4-(methoxymethoxy)aniline
SMILESCOCOc1c(F)cc(N)cc1F
InChIInChI=1S/C8H9F2NO2/c1-12-4-13-8-6(9)2-5(11)3-7(8)10/h2-3H,4,11H2,1H3
InChIKeyGPNJYALPASQROR-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.53
Rot. Bonds3

About 3,5-difluoro-4-(methoxymethoxy)aniline

3,5-difluoro-4-(methoxymethoxy)aniline (PubChem CID 68615412) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 3,5-difluoro-4-(methoxymethoxy)aniline.

Molecular Properties

Compound Name3,5-difluoro-4-(methoxymethoxy)aniline
PubChem CID68615412
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name3,5-difluoro-4-(methoxymethoxy)aniline
SMILESCOCOc1c(F)cc(N)cc1F
InChIInChI=1S/C8H9F2NO2/c1-12-4-13-8-6(9)2-5(11)3-7(8)10/h2-3H,4,11H2,1H3
InChIKeyGPNJYALPASQROR-UHFFFAOYSA-N
XLogP1.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-fluoro-4-(3-methoxypropoxy)aniline
CID 138985881
1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene
CID 142560015
3,5-difluoro-4-(4-methylpentoxy)aniline
CID 61016685
1,5-difluoro-2-(methoxymethoxy)-3-methylsulfanylbenzene
CID 10798945
5-bromo-1-fluoro-3-methoxy-2-(methoxymethoxy)benzene
CID 164894429
2,3,5-trifluoro-4-(methoxymethoxy)benzaldehyde
CID 163233297
2,5-difluoro-3,4-bis(methoxymethoxy)benzaldehyde
CID 54157105
2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid
CID 164892738
3-(methoxymethoxy)-5-methylaniline
CID 143853876
2-[3,5-difluoro-4-(methoxymethoxy)phenyl]-6-methoxypyridine
CID 123762675
1-bromo-4-fluoro-3-iodo-2-(methoxymethoxy)benzene
CID 164892587
methyl 3-fluoro-4-(methoxymethoxy)-5-methylbenzoate
CID 58629751

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(methoxymethoxy)aniline?
The IUPAC name of 3,5-difluoro-4-(methoxymethoxy)aniline (CID 68615412) is 3,5-difluoro-4-(methoxymethoxy)aniline.
What is the SMILES notation for 3,5-difluoro-4-(methoxymethoxy)aniline?
The canonical SMILES for 3,5-difluoro-4-(methoxymethoxy)aniline is COCOc1c(F)cc(N)cc1F.
What is the InChIKey of 3,5-difluoro-4-(methoxymethoxy)aniline?
The InChIKey is GPNJYALPASQROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-12-4-13-8-6(9)2-5(11)3-7(8)10/h2-3H,4,11H2,1H3.
What are the key properties of 3,5-difluoro-4-(methoxymethoxy)aniline?
3,5-difluoro-4-(methoxymethoxy)aniline has a molecular weight of 189.16 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methoxymethoxy)aniline is sourced from PubChem (CID 68615412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).