1,3-difluoro-2-methoxy-5-nitrobenzene

C7H5F2NO3 — CID 605060

IUPAC1,3-difluoro-2-methoxy-5-nitrobenzene
SMILESCOc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C7H5F2NO3/c1-13-7-5(8)2-4(10(11)12)3-6(7)9/h2-3H,1H3
InChIKeyHHWLNWSVKHLZDB-UHFFFAOYSA-N
MW189.12 g/mol
LogP1.88
Rot. Bonds2

About 1,3-difluoro-2-methoxy-5-nitrobenzene

1,3-difluoro-2-methoxy-5-nitrobenzene (PubChem CID 605060) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is 1,3-difluoro-2-methoxy-5-nitrobenzene.

Molecular Properties

Compound Name1,3-difluoro-2-methoxy-5-nitrobenzene
PubChem CID605060
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name1,3-difluoro-2-methoxy-5-nitrobenzene
SMILESCOc1c(F)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C7H5F2NO3/c1-13-7-5(8)2-4(10(11)12)3-6(7)9/h2-3H,1H3
InChIKeyHHWLNWSVKHLZDB-UHFFFAOYSA-N
XLogP1.88
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 51.88
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

1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
1-(3-fluoro-2-methoxy-5-nitrophenyl)ethanone
CID 117303485
O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine
CID 117307657
2-(3-fluoro-2-methoxy-5-nitrophenyl)acetonitrile
CID 117299777
1-(3-fluoro-2-methoxy-5-nitrophenyl)propan-2-ol
CID 117329841
2-(3-fluoro-2-methoxy-5-nitrophenyl)propan-1-ol
CID 117329910
2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol
CID 117359252
1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclohexan-1-amine
CID 117424308
1-(3-fluoro-2-methoxy-5-nitrophenyl)-2-(methylamino)ethanone
CID 117357062
1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentane-1-carboxylic acid
CID 117455172
3-amino-3-(3-fluoro-2-methoxy-5-nitrophenyl)propanoic acid
CID 117398663
[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine
CID 117424334

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methoxy-5-nitrobenzene?
The IUPAC name of 1,3-difluoro-2-methoxy-5-nitrobenzene (CID 605060) is 1,3-difluoro-2-methoxy-5-nitrobenzene.
What is the SMILES notation for 1,3-difluoro-2-methoxy-5-nitrobenzene?
The canonical SMILES for 1,3-difluoro-2-methoxy-5-nitrobenzene is COc1c(F)cc([N+](=O)[O-])cc1F.
What is the InChIKey of 1,3-difluoro-2-methoxy-5-nitrobenzene?
The InChIKey is HHWLNWSVKHLZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c1-13-7-5(8)2-4(10(11)12)3-6(7)9/h2-3H,1H3.
What are the key properties of 1,3-difluoro-2-methoxy-5-nitrobenzene?
1,3-difluoro-2-methoxy-5-nitrobenzene has a molecular weight of 189.12 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methoxy-5-nitrobenzene is sourced from PubChem (CID 605060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).