1-fluoro-3-[(4-nitrophenyl)methoxy]benzene

C13H10FNO3 — CID 22137955

IUPAC1-fluoro-3-[(4-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1ccc(COc2cccc(F)c2)cc1
InChIInChI=1S/C13H10FNO3/c14-11-2-1-3-13(8-11)18-9-10-4-6-12(7-5-10)15(16)17/h1-8H,9H2
InChIKeyCYGLQGIZIPOCMG-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.31
Rot. Bonds4

About 1-fluoro-3-[(4-nitrophenyl)methoxy]benzene

1-fluoro-3-[(4-nitrophenyl)methoxy]benzene (PubChem CID 22137955) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-fluoro-3-[(4-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-fluoro-3-[(4-nitrophenyl)methoxy]benzene
PubChem CID22137955
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name1-fluoro-3-[(4-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1ccc(COc2cccc(F)c2)cc1
InChIInChI=1S/C13H10FNO3/c14-11-2-1-3-13(8-11)18-9-10-4-6-12(7-5-10)15(16)17/h1-8H,9H2
InChIKeyCYGLQGIZIPOCMG-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

1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
2-[(3-fluorophenoxy)methyl]-4-nitroaniline
CID 62193712
1-[(4-nitrophenyl)methoxy]-3-propan-2-ylbenzene
CID 155228250
3-[(4-nitrophenyl)methoxy]benzamide
CID 18354598
(3-fluorophenyl) 2-(4-nitrophenyl)ethanesulfonate
CID 75384667
1-[(4-chlorophenyl)methoxy]-3-nitrobenzene
CID 54035695
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
1-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxy-3-nitrobenzene
CID 166073962
1,3-dimethoxy-5-[(4-nitrophenyl)methoxy]benzene
CID 7707175
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
2-chloro-1-nitro-4-[(4-nitrophenyl)methoxy]benzene
CID 78977048

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(4-nitrophenyl)methoxy]benzene?
The IUPAC name of 1-fluoro-3-[(4-nitrophenyl)methoxy]benzene (CID 22137955) is 1-fluoro-3-[(4-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 1-fluoro-3-[(4-nitrophenyl)methoxy]benzene?
The canonical SMILES for 1-fluoro-3-[(4-nitrophenyl)methoxy]benzene is O=[N+]([O-])c1ccc(COc2cccc(F)c2)cc1.
What is the InChIKey of 1-fluoro-3-[(4-nitrophenyl)methoxy]benzene?
The InChIKey is CYGLQGIZIPOCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-11-2-1-3-13(8-11)18-9-10-4-6-12(7-5-10)15(16)17/h1-8H,9H2.
What are the key properties of 1-fluoro-3-[(4-nitrophenyl)methoxy]benzene?
1-fluoro-3-[(4-nitrophenyl)methoxy]benzene 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 1-fluoro-3-[(4-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 22137955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).