1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene

C14H10F2N2O5 — CID 142787352

IUPAC1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene
SMILESCc1cc(F)c([N+](=O)[O-])cc1Oc1cc([N+](=O)[O-])c(F)cc1C
InChIInChI=1S/C14H10F2N2O5/c1-7-3-9(15)11(17(19)20)5-13(7)23-14-6-12(18(21)22)10(16)4-8(14)2/h3-6H,1-2H3
InChIKeyNLOIEJCNPCJXQA-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.19
Rot. Bonds4

About 1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene

1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene (PubChem CID 142787352) has the molecular formula C14H10F2N2O5 and a molecular weight of 324.24 g/mol. Its IUPAC name is 1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene.

Molecular Properties

Compound Name1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene
PubChem CID142787352
Molecular FormulaC14H10F2N2O5
Molecular Weight324.24 g/mol
Exact Mass324.06
IUPAC Name1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene
SMILESCc1cc(F)c([N+](=O)[O-])cc1Oc1cc([N+](=O)[O-])c(F)cc1C
InChIInChI=1S/C14H10F2N2O5/c1-7-3-9(15)11(17(19)20)5-13(7)23-14-6-12(18(21)22)10(16)4-8(14)2/h3-6H,1-2H3
InChIKeyNLOIEJCNPCJXQA-UHFFFAOYSA-N
XLogP4.19
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-5-(5-fluoro-2,4-dinitrophenoxy)-2,4-dinitrobenzene
CID 88688224
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine
CID 162431890
sodium 2-fluoro-4-methyl-5-nitrobenzenesulfinate
CID 165455247
(2,4-difluoro-5-nitrophenyl) acetate
CID 174766654
4-(2,5-dimethyl-4-nitrophenoxy)-3-fluorobenzonitrile
CID 63180886
1-[4-(bromomethyl)-2-fluorophenoxy]-2,5-dimethyl-4-nitrobenzene
CID 107088452
5-fluoro-2-methoxy-4-nitrobenzonitrile
CID 166638353
2-(2,5-dimethyl-4-nitrophenoxy)-6-fluorobenzonitrile
CID 78916032
1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene
CID 118852839
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
1-(5-fluoro-2-methoxy-4-nitrophenyl)ethanone
CID 131610488

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene?
The IUPAC name of 1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene (CID 142787352) is 1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene.
What is the SMILES notation for 1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene?
The canonical SMILES for 1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene is Cc1cc(F)c([N+](=O)[O-])cc1Oc1cc([N+](=O)[O-])c(F)cc1C.
What is the InChIKey of 1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene?
The InChIKey is NLOIEJCNPCJXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O5/c1-7-3-9(15)11(17(19)20)5-13(7)23-14-6-12(18(21)22)10(16)4-8(14)2/h3-6H,1-2H3.
What are the key properties of 1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene?
1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene has a molecular weight of 324.24 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-fluoro-2-methyl-5-nitrophenoxy)-5-methyl-2-nitrobenzene is sourced from PubChem (CID 142787352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).