1,5-difluoro-3-nitro-2-phenylmethoxybenzene

C13H9F2NO3 — CID 68842689

IUPAC1,5-difluoro-3-nitro-2-phenylmethoxybenzene
SMILESO=[N+]([O-])c1cc(F)cc(F)c1OCc1ccccc1
InChIInChI=1S/C13H9F2NO3/c14-10-6-11(15)13(12(7-10)16(17)18)19-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyZKXASDRVMJNTBH-UHFFFAOYSA-N
MW265.22 g/mol
LogP3.45
Rot. Bonds4

About 1,5-difluoro-3-nitro-2-phenylmethoxybenzene

1,5-difluoro-3-nitro-2-phenylmethoxybenzene (PubChem CID 68842689) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 1,5-difluoro-3-nitro-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1,5-difluoro-3-nitro-2-phenylmethoxybenzene
PubChem CID68842689
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name1,5-difluoro-3-nitro-2-phenylmethoxybenzene
SMILESO=[N+]([O-])c1cc(F)cc(F)c1OCc1ccccc1
InChIInChI=1S/C13H9F2NO3/c14-10-6-11(15)13(12(7-10)16(17)18)19-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyZKXASDRVMJNTBH-UHFFFAOYSA-N
XLogP3.45
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 53.45
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

2-ethoxy-1,5-difluoro-3-nitrobenzene
CID 121228440
1,3-difluoro-5-nitro-2,4,6-tris(phenylmethoxy)benzene
CID 10743231
1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene
CID 22414647
1,5-difluoro-2-nitro-3-phenylmethoxybenzene;2,4-difluoro-6-phenylmethoxyaniline
CID 160758760
5-fluoro-1-methyl-2-nitro-3-phenylmethoxybenzene;1,3,5-trifluoro-2-nitrobenzene
CID 158475219
5-chloro-3-nitro-2-phenylmethoxyphenol;ethane
CID 143239378
benzyl 2,5-difluoro-3-nitrobenzoate
CID 107123592
1,3,4-trifluoro-2-nitro-5-phenylmethoxybenzene
CID 146529231
[3,5-difluoro-4-[(2-nitrophenyl)methoxy]phenyl]methanamine
CID 79880994
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
1-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxy-3-nitrobenzene
CID 166073962
4-(2-nitro-4-phenylmethoxyphenyl)phenol
CID 66934266

Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-3-nitro-2-phenylmethoxybenzene?
The IUPAC name of 1,5-difluoro-3-nitro-2-phenylmethoxybenzene (CID 68842689) is 1,5-difluoro-3-nitro-2-phenylmethoxybenzene.
What is the SMILES notation for 1,5-difluoro-3-nitro-2-phenylmethoxybenzene?
The canonical SMILES for 1,5-difluoro-3-nitro-2-phenylmethoxybenzene is O=[N+]([O-])c1cc(F)cc(F)c1OCc1ccccc1.
What is the InChIKey of 1,5-difluoro-3-nitro-2-phenylmethoxybenzene?
The InChIKey is ZKXASDRVMJNTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-10-6-11(15)13(12(7-10)16(17)18)19-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 1,5-difluoro-3-nitro-2-phenylmethoxybenzene?
1,5-difluoro-3-nitro-2-phenylmethoxybenzene has a molecular weight of 265.22 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-3-nitro-2-phenylmethoxybenzene is sourced from PubChem (CID 68842689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).