3,4-difluoro-2-methoxy-5-nitroaniline

C7H6F2N2O3 — CID 118913135

IUPAC3,4-difluoro-2-methoxy-5-nitroaniline
SMILESCOc1c(N)cc([N+](=O)[O-])c(F)c1F
InChIInChI=1S/C7H6F2N2O3/c1-14-7-3(10)2-4(11(12)13)5(8)6(7)9/h2H,10H2,1H3
InChIKeyKPNWYZJREIKMFI-UHFFFAOYSA-N
MW204.13 g/mol
LogP1.46
Rot. Bonds2

About 3,4-difluoro-2-methoxy-5-nitroaniline

3,4-difluoro-2-methoxy-5-nitroaniline (PubChem CID 118913135) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 3,4-difluoro-2-methoxy-5-nitroaniline.

Molecular Properties

Compound Name3,4-difluoro-2-methoxy-5-nitroaniline
PubChem CID118913135
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name3,4-difluoro-2-methoxy-5-nitroaniline
SMILESCOc1c(N)cc([N+](=O)[O-])c(F)c1F
InChIInChI=1S/C7H6F2N2O3/c1-14-7-3(10)2-4(11(12)13)5(8)6(7)9/h2H,10H2,1H3
InChIKeyKPNWYZJREIKMFI-UHFFFAOYSA-N
XLogP1.46
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-2-methoxy-4-nitroaniline
CID 138109611
2,4-dimethoxy-3-methyl-5-nitroaniline
CID 974774
1-bromo-2,3-difluoro-4-methoxy-5-nitrobenzene
CID 99770301
3-bromo-1,4-difluoro-2-methoxy-5-nitrobenzene
CID 170624168
3-chloro-2,4-difluoro-5-nitroaniline
CID 13260601
2-fluoro-1-methoxy-5-methyl-3-nitrobenzene
CID 131213041
2-fluoro-1,5-dimethoxy-3-nitrobenzene
CID 15324514
5-fluoro-1,2-dimethoxy-3-nitrobenzene
CID 118807824
1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene
CID 4261372
1,3-difluoro-5-methoxy-2,4,6-trinitrobenzene
CID 156781036
2-fluoro-5-methoxy-1-methyl-3-nitrobenzene
CID 118816436
3-bromo-4-fluoro-2-methoxy-1-methylsulfonyl-5-nitrobenzene
CID 118612647

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-methoxy-5-nitroaniline?
The IUPAC name of 3,4-difluoro-2-methoxy-5-nitroaniline (CID 118913135) is 3,4-difluoro-2-methoxy-5-nitroaniline.
What is the SMILES notation for 3,4-difluoro-2-methoxy-5-nitroaniline?
The canonical SMILES for 3,4-difluoro-2-methoxy-5-nitroaniline is COc1c(N)cc([N+](=O)[O-])c(F)c1F.
What is the InChIKey of 3,4-difluoro-2-methoxy-5-nitroaniline?
The InChIKey is KPNWYZJREIKMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c1-14-7-3(10)2-4(11(12)13)5(8)6(7)9/h2H,10H2,1H3.
What are the key properties of 3,4-difluoro-2-methoxy-5-nitroaniline?
3,4-difluoro-2-methoxy-5-nitroaniline has a molecular weight of 204.13 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-methoxy-5-nitroaniline is sourced from PubChem (CID 118913135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).