1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene

C7H3F4NO3 — CID 118835888

IUPAC1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)c(F)cc1OC(F)F
InChIInChI=1S/C7H3F4NO3/c8-3-1-5(12(13)14)6(2-4(3)9)15-7(10)11/h1-2,7H
InChIKeyZKPWOUHFLSZWAE-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.47
Rot. Bonds3

About 1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene

1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene (PubChem CID 118835888) has the molecular formula C7H3F4NO3 and a molecular weight of 225.10 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene
PubChem CID118835888
Molecular FormulaC7H3F4NO3
Molecular Weight225.10 g/mol
Exact Mass225.00
IUPAC Name1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)c(F)cc1OC(F)F
InChIInChI=1S/C7H3F4NO3/c8-3-1-5(12(13)14)6(2-4(3)9)15-7(10)11/h1-2,7H
InChIKeyZKPWOUHFLSZWAE-UHFFFAOYSA-N
XLogP2.47
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.47
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

1,2-dibromo-4-(difluoromethoxy)-5-nitrobenzene
CID 118802196
1-[2-(difluoromethoxy)-4-fluoro-5-nitrophenyl]ethanone
CID 171031879
1-[2-(difluoromethoxy)-5-fluoro-4-nitrophenyl]ethanone
CID 171031882
3-(4,5-difluoro-2-nitrophenoxy)azetidine
CID 139591719
(E)-3-[2-(difluoromethoxy)-4-fluoro-5-nitrophenyl]prop-2-enoic acid
CID 171026495
1-fluoro-5-(5-fluoro-2,4-dinitrophenoxy)-2,4-dinitrobenzene
CID 88688224
1-[2-chloro-4-(difluoromethoxy)-5-nitrophenyl]ethanone
CID 171006601
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
1-[5-(difluoromethoxy)-2-ethyl-4-nitrophenyl]ethanone
CID 171031781
5-bromo-1-(difluoromethoxy)-2-methyl-3-nitrobenzene
CID 118805782
1-chloro-5-(difluoromethoxy)-4-methyl-2-nitrobenzene
CID 118850656
4-(difluoromethoxy)-5-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969510

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene?
The IUPAC name of 1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene (CID 118835888) is 1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene.
What is the SMILES notation for 1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene?
The canonical SMILES for 1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene is O=[N+]([O-])c1cc(F)c(F)cc1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene?
The InChIKey is ZKPWOUHFLSZWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO3/c8-3-1-5(12(13)14)6(2-4(3)9)15-7(10)11/h1-2,7H.
What are the key properties of 1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene?
1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene has a molecular weight of 225.10 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4,5-difluoro-2-nitrobenzene is sourced from PubChem (CID 118835888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).