1-(difluoromethyl)-2-fluoro-3-nitrobenzene

C7H4F3NO2 — CID 46311780

IUPAC1-(difluoromethyl)-2-fluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(C(F)F)c1F
InChIInChI=1S/C7H4F3NO2/c8-6-4(7(9)10)2-1-3-5(6)11(12)13/h1-3,7H
InChIKeyLVPDSOXLXWWHNG-UHFFFAOYSA-N
MW191.11 g/mol
LogP2.67
Rot. Bonds2

About 1-(difluoromethyl)-2-fluoro-3-nitrobenzene

1-(difluoromethyl)-2-fluoro-3-nitrobenzene (PubChem CID 46311780) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-fluoro-3-nitrobenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-2-fluoro-3-nitrobenzene
PubChem CID46311780
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name1-(difluoromethyl)-2-fluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(C(F)F)c1F
InChIInChI=1S/C7H4F3NO2/c8-6-4(7(9)10)2-1-3-5(6)11(12)13/h1-3,7H
InChIKeyLVPDSOXLXWWHNG-UHFFFAOYSA-N
XLogP2.67
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-fluoro-1-nitro-3-propan-2-ylbenzene
CID 59860466
2-chloro-1-(difluoromethyl)-3-nitrobenzene
CID 71239400
2-fluoro-3-nitrobenzenethiol
CID 150966196
3-chloro-1-(2-fluoro-3-nitrophenyl)propane-1,2-diol
CID 171862483
5-bromo-1-(difluoromethyl)-2-fluoro-3-nitrobenzene
CID 131050884
2-fluoro-3-nitrobenzonitrile
CID 23291017
1,2,3,4,5-pentafluoro-6-(2-fluoro-3-nitrophenyl)benzene
CID 134617355
(2-nitrophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 45103211
O-(2-fluoro-3-nitrophenyl)hydroxylamine
CID 57250404
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
2-fluoro-N,N-dimethyl-3-nitroaniline
CID 131699647
CID 159928766
CID 159928766

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-fluoro-3-nitrobenzene?
The IUPAC name of 1-(difluoromethyl)-2-fluoro-3-nitrobenzene (CID 46311780) is 1-(difluoromethyl)-2-fluoro-3-nitrobenzene.
What is the SMILES notation for 1-(difluoromethyl)-2-fluoro-3-nitrobenzene?
The canonical SMILES for 1-(difluoromethyl)-2-fluoro-3-nitrobenzene is O=[N+]([O-])c1cccc(C(F)F)c1F.
What is the InChIKey of 1-(difluoromethyl)-2-fluoro-3-nitrobenzene?
The InChIKey is LVPDSOXLXWWHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-6-4(7(9)10)2-1-3-5(6)11(12)13/h1-3,7H.
What are the key properties of 1-(difluoromethyl)-2-fluoro-3-nitrobenzene?
1-(difluoromethyl)-2-fluoro-3-nitrobenzene has a molecular weight of 191.11 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-fluoro-3-nitrobenzene is sourced from PubChem (CID 46311780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).