1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene

C13H9F2NO3 — CID 78797422

IUPAC1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene
SMILESO=[N+]([O-])c1ccccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C13H9F2NO3/c14-10-6-5-9(7-11(10)15)8-19-13-4-2-1-3-12(13)16(17)18/h1-7H,8H2
InChIKeyFRDVLOFSGPTVAP-UHFFFAOYSA-N
MW265.22 g/mol
LogP3.45
Rot. Bonds4

About 1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene

1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene (PubChem CID 78797422) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene
PubChem CID78797422
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene
SMILESO=[N+]([O-])c1ccccc1OCc1ccc(F)c(F)c1
InChIInChI=1S/C13H9F2NO3/c14-10-6-5-9(7-11(10)15)8-19-13-4-2-1-3-12(13)16(17)18/h1-7H,8H2
InChIKeyFRDVLOFSGPTVAP-UHFFFAOYSA-N
XLogP3.45
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanamine
CID 82918133
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 18551352
1-[(3-bromo-4-fluorophenyl)methoxy]-2-methyl-3-nitrobenzene
CID 63456882
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 114672194
4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
CID 78767325
4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
CID 52891645
1-chloro-4-[[4-(chloromethyl)-2-nitrophenoxy]methyl]-2-fluorobenzene
CID 107882569
2-chloro-4-[[4-(chloromethyl)-2-nitrophenoxy]methyl]-1-fluorobenzene
CID 103038450
4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82919067
3-bromo-5-[(2-nitrophenoxy)methyl]pyridine
CID 39528226

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene?
The IUPAC name of 1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene (CID 78797422) is 1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene is O=[N+]([O-])c1ccccc1OCc1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene?
The InChIKey is FRDVLOFSGPTVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-10-6-5-9(7-11(10)15)8-19-13-4-2-1-3-12(13)16(17)18/h1-7H,8H2.
What are the key properties of 1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene?
1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene has a molecular weight of 265.22 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene is sourced from PubChem (CID 78797422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).