1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene

C12H6Cl2FNO3 — CID 26247

IUPAC1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccc(Oc2c(F)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H6Cl2FNO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H
InChIKeyMVHWKYHDYCGNQN-UHFFFAOYSA-N
MW302.09 g/mol
LogP4.83
Rot. Bonds3

About 1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene

1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene (PubChem CID 26247) has the molecular formula C12H6Cl2FNO3 and a molecular weight of 302.09 g/mol. Its IUPAC name is 1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene
PubChem CID26247
Molecular FormulaC12H6Cl2FNO3
Molecular Weight302.09 g/mol
Exact Mass300.97
IUPAC Name1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene
SMILESO=[N+]([O-])c1ccc(Oc2c(F)cc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H6Cl2FNO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H
InChIKeyMVHWKYHDYCGNQN-UHFFFAOYSA-N
XLogP4.83
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 54.83
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 1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene 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

Nitrofen
CID 15787
Chlomethoxyfen
CID 36250
Chlornitrofen
CID 15788
4-(2,4-Dichlorophenoxy)benzenamine
CID 26940
3,4-Dichlorophenyl 4'-nitrophenyl ether
CID 168048
1-Chloro-4-(4-nitrophenoxy)benzene
CID 15786
3-Chloro-4-(4-chlorophenoxy)aniline
CID 90644
1,3-Dichloro-2-methoxy-5-nitrobenzene
CID 309716
4-(2,4,6-Trichlorophenoxy)aniline
CID 33473
Benzonitrile, 2-(2,4-dichlorophenoxy)-5-nitro-
CID 514833
2-Chloro-1-methoxy-4-nitrobenzene
CID 21027
2-Chloro-4-trifluoromethylphenyl 4-nitrophenyl ether
CID 39326

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene?
The IUPAC name of 1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene (CID 26247) is 1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene.
What is the SMILES notation for 1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene?
The canonical SMILES for 1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene is O=[N+]([O-])c1ccc(Oc2c(F)cc(Cl)cc2Cl)cc1.
What is the InChIKey of 1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene?
The InChIKey is MVHWKYHDYCGNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H.
What are the key properties of 1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene?
1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene has a molecular weight of 302.09 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-fluoro-2-(4-nitrophenoxy)benzene is sourced from PubChem (CID 26247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).