1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene

C13H7Cl3FNO3 — CID 107348680

IUPAC1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1F
InChIInChI=1S/C13H7Cl3FNO3/c14-8-4-9(15)13(10(16)5-8)21-6-7-2-1-3-11(12(7)17)18(19)20/h1-5H,6H2
InChIKeyGGNOQPJSNCKVMR-UHFFFAOYSA-N
MW350.56 g/mol
LogP5.27
Rot. Bonds4

About 1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene

1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene (PubChem CID 107348680) has the molecular formula C13H7Cl3FNO3 and a molecular weight of 350.56 g/mol. Its IUPAC name is 1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene
PubChem CID107348680
Molecular FormulaC13H7Cl3FNO3
Molecular Weight350.56 g/mol
Exact Mass348.95
IUPAC Name1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene
SMILESO=[N+]([O-])c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1F
InChIInChI=1S/C13H7Cl3FNO3/c14-8-4-9(15)13(10(16)5-8)21-6-7-2-1-3-11(12(7)17)18(19)20/h1-5H,6H2
InChIKeyGGNOQPJSNCKVMR-UHFFFAOYSA-N
XLogP5.27
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.56
LogP ≤ 55.27
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-[(4-chloro-2-methylphenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348630
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
4-chloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile
CID 107349534
1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-2-fluoro-3-nitrobenzene
CID 107349917
1-[[2-bromo-6-(bromomethyl)phenoxy]methyl]-2-fluoro-3-nitrobenzene
CID 107349915
1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene
CID 107348744
2-fluoro-1-[(3-methylphenoxy)methyl]-3-nitrobenzene
CID 107348619
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758
2-fluoro-1-[(4-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348730
1-(bromomethyl)-2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzene
CID 115956808
2-fluoro-1-[(2-methylsulfanylphenoxy)methyl]-3-nitrobenzene
CID 107348729

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene?
The IUPAC name of 1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene (CID 107348680) is 1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene.
What is the SMILES notation for 1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene?
The canonical SMILES for 1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene is O=[N+]([O-])c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1F.
What is the InChIKey of 1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene?
The InChIKey is GGNOQPJSNCKVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO3/c14-8-4-9(15)13(10(16)5-8)21-6-7-2-1-3-11(12(7)17)18(19)20/h1-5H,6H2.
What are the key properties of 1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene?
1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene has a molecular weight of 350.56 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene is sourced from PubChem (CID 107348680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).