2-fluoro-1-nitro-4-phenylmethoxybenzene

C13H10FNO3 — CID 22180704

IUPAC2-fluoro-1-nitro-4-phenylmethoxybenzene
SMILESO=[N+]([O-])c1ccc(OCc2ccccc2)cc1F
InChIInChI=1S/C13H10FNO3/c14-12-8-11(6-7-13(12)15(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyJUGGVCLJDPHFQC-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.31
Rot. Bonds4

About 2-fluoro-1-nitro-4-phenylmethoxybenzene

2-fluoro-1-nitro-4-phenylmethoxybenzene (PubChem CID 22180704) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 2-fluoro-1-nitro-4-phenylmethoxybenzene.

Molecular Properties

Compound Name2-fluoro-1-nitro-4-phenylmethoxybenzene
PubChem CID22180704
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name2-fluoro-1-nitro-4-phenylmethoxybenzene
SMILESO=[N+]([O-])c1ccc(OCc2ccccc2)cc1F
InChIInChI=1S/C13H10FNO3/c14-12-8-11(6-7-13(12)15(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyJUGGVCLJDPHFQC-UHFFFAOYSA-N
XLogP3.31
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.31
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

Fluorodifen
CID 27295
4-Nitrophenetol
CID 7495
4-Benzyloxyaniline
CID 22860
1-Nitro-4-phenoxybenzene
CID 12110
3-Methyl-4-nitroanisole
CID 79330
1,1'-Oxybis(4-nitrobenzene)
CID 7568
p-Nitrophenyl o-tolyl ether
CID 17123
4-Nitrophenyl phenylacetate
CID 532302
4-(2-Phenylethoxy)aniline
CID 3026856
4-(4-Nitrophenoxy)benzenamine
CID 80251
4-Benzyloxy-2-nitroaniline
CID 261497
p-(Benzyloxy)nitrobenzene
CID 70842

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-nitro-4-phenylmethoxybenzene?
The IUPAC name of 2-fluoro-1-nitro-4-phenylmethoxybenzene (CID 22180704) is 2-fluoro-1-nitro-4-phenylmethoxybenzene.
What is the SMILES notation for 2-fluoro-1-nitro-4-phenylmethoxybenzene?
The canonical SMILES for 2-fluoro-1-nitro-4-phenylmethoxybenzene is O=[N+]([O-])c1ccc(OCc2ccccc2)cc1F.
What is the InChIKey of 2-fluoro-1-nitro-4-phenylmethoxybenzene?
The InChIKey is JUGGVCLJDPHFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-12-8-11(6-7-13(12)15(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-fluoro-1-nitro-4-phenylmethoxybenzene?
2-fluoro-1-nitro-4-phenylmethoxybenzene has a molecular weight of 247.23 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-nitro-4-phenylmethoxybenzene is sourced from PubChem (CID 22180704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).