1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene

C13H8F3NO3 — CID 107348727

IUPAC1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(COc2cc(F)ccc2F)c1F
InChIInChI=1S/C13H8F3NO3/c14-9-4-5-10(15)12(6-9)20-7-8-2-1-3-11(13(8)16)17(18)19/h1-6H,7H2
InChIKeyJUUHQWJNRNWODZ-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.59
Rot. Bonds4

About 1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene

1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene (PubChem CID 107348727) has the molecular formula C13H8F3NO3 and a molecular weight of 283.20 g/mol. Its IUPAC name is 1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene.

Molecular Properties

Compound Name1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
PubChem CID107348727
Molecular FormulaC13H8F3NO3
Molecular Weight283.20 g/mol
Exact Mass283.05
IUPAC Name1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(COc2cc(F)ccc2F)c1F
InChIInChI=1S/C13H8F3NO3/c14-9-4-5-10(15)12(6-9)20-7-8-2-1-3-11(13(8)16)17(18)19/h1-6H,7H2
InChIKeyJUUHQWJNRNWODZ-UHFFFAOYSA-N
XLogP3.59
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.59
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'}

Analyze 1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
4-chloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile
CID 107349534
1-[(4-chloro-2-methylphenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348630
2-fluoro-6-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile
CID 107348702
3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
CID 107348669
2-fluoro-1-[(2-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348729
1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene
CID 107348680
2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitroaniline
CID 107352443
[2-[(2-fluoro-3-nitrophenyl)methoxy]-5-methylphenyl]methanol
CID 107349865
2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
CID 107348619
1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-2-fluoro-3-nitrobenzene
CID 107349917

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene?
The IUPAC name of 1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene (CID 107348727) is 1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene.
What is the SMILES notation for 1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene?
The canonical SMILES for 1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene is O=[N+]([O-])c1cccc(COc2cc(F)ccc2F)c1F.
What is the InChIKey of 1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene?
The InChIKey is JUUHQWJNRNWODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-9-4-5-10(15)12(6-9)20-7-8-2-1-3-11(13(8)16)17(18)19/h1-6H,7H2.
What are the key properties of 1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene?
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene has a molecular weight of 283.20 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene is sourced from PubChem (CID 107348727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).