1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene

C7H3F4NO3 — CID 4261372

IUPAC1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene
SMILESCOc1c(F)c(F)c([N+](=O)[O-])c(F)c1F
InChIInChI=1S/C7H3F4NO3/c1-15-7-4(10)2(8)6(12(13)14)3(9)5(7)11/h1H3
InChIKeyHIOCAQUUJNGLPF-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.16
Rot. Bonds2

About 1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene

1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene (PubChem CID 4261372) has the molecular formula C7H3F4NO3 and a molecular weight of 225.10 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene
PubChem CID4261372
Molecular FormulaC7H3F4NO3
Molecular Weight225.10 g/mol
Exact Mass225.00
IUPAC Name1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene
SMILESCOc1c(F)c(F)c([N+](=O)[O-])c(F)c1F
InChIInChI=1S/C7H3F4NO3/c1-15-7-4(10)2(8)6(12(13)14)3(9)5(7)11/h1H3
InChIKeyHIOCAQUUJNGLPF-UHFFFAOYSA-N
XLogP2.16
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-difluoro-5-methoxy-2,4,6-trinitrobenzene
CID 156781036
2,3,6-trifluoro-4-methoxy-5-nitrobenzoic acid
CID 174494809
1,2,3-trimethoxy-4,5,6-trinitrobenzene
CID 15386969
1-ethoxy-2,3,4,5-tetrafluoro-6-nitrobenzene
CID 91872104
1-bromo-2,5-difluoro-4-methoxy-3-nitrobenzene
CID 170434827
3,5-difluoro-2-methoxy-4-nitroaniline
CID 138109611
3,5-dimethoxy-2,4,6-trinitrophenol
CID 87251966
1,3,5-trifluoro-2-methyl-4,6-dinitrobenzene
CID 53429897
1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene
CID 23234800
3,4-difluoro-2-methoxy-5-nitroaniline
CID 118913135
1-bromo-2,3-difluoro-4-methoxy-5-nitrobenzene
CID 99770301
(4-fluoro-2,5-dimethoxy-6-methyl-3-nitrophenyl) methanesulfonate
CID 174648504

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene (CID 4261372) is 1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene is COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene?
The InChIKey is HIOCAQUUJNGLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO3/c1-15-7-4(10)2(8)6(12(13)14)3(9)5(7)11/h1H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene?
1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene has a molecular weight of 225.10 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-methoxy-6-nitrobenzene is sourced from PubChem (CID 4261372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).