1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene

C7H4F3NO3 — CID 118830267

IUPAC1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)c(F)c1OCF
InChIInChI=1S/C7H4F3NO3/c8-3-14-7-5(11(12)13)2-1-4(9)6(7)10/h1-2H,3H2
InChIKeyLGHBGNYJNGQIJE-UHFFFAOYSA-N
MW207.11 g/mol
LogP2.18
Rot. Bonds3

About 1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene

1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene (PubChem CID 118830267) has the molecular formula C7H4F3NO3 and a molecular weight of 207.11 g/mol. Its IUPAC name is 1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene.

Molecular Properties

Compound Name1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene
PubChem CID118830267
Molecular FormulaC7H4F3NO3
Molecular Weight207.11 g/mol
Exact Mass207.01
IUPAC Name1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(F)c(F)c1OCF
InChIInChI=1S/C7H4F3NO3/c8-3-14-7-5(11(12)13)2-1-4(9)6(7)10/h1-2H,3H2
InChIKeyLGHBGNYJNGQIJE-UHFFFAOYSA-N
XLogP2.18
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 52.18
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-bromo-3-(2,3-difluoro-6-nitrophenoxy)propan-2-ol
CID 22247683
4-(2,3-difluoro-6-nitrophenoxy)phenol
CID 55086265
3-(2,3-difluoro-6-nitrophenoxy)azetidine
CID 63105342
3-bromo-1,2-difluoro-4-nitrobenzene
CID 574589
1-(3-chloro-2-fluoro-6-nitrophenoxy)propan-2-one
CID 13188586
(3-fluoro-2,6-dinitrophenyl) propanoate
CID 174727561
1,3-difluoro-2-(2-methylpropoxy)-4-nitrobenzene
CID 125116639
1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene
CID 118852839
2-[(2R)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl]oxyoxane
CID 14697180
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
2-(2,3-difluoro-6-nitrophenyl)acetate
CID 86306842
1-bromo-3-(difluoromethoxy)-2-fluoro-4-nitrobenzene
CID 118813557

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene?
The IUPAC name of 1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene (CID 118830267) is 1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene.
What is the SMILES notation for 1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene?
The canonical SMILES for 1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene is O=[N+]([O-])c1ccc(F)c(F)c1OCF.
What is the InChIKey of 1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene?
The InChIKey is LGHBGNYJNGQIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3/c8-3-14-7-5(11(12)13)2-1-4(9)6(7)10/h1-2H,3H2.
What are the key properties of 1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene?
1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene has a molecular weight of 207.11 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(fluoromethoxy)-4-nitrobenzene is sourced from PubChem (CID 118830267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).