1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene

C12H6Cl2FNO2 — CID 134623777

IUPAC1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)cc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C12H6Cl2FNO2/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(4-8)16(17)18/h1-6H
InChIKeyNFCCKAFDXUJYBJ-UHFFFAOYSA-N
MW286.09 g/mol
LogP4.71
Rot. Bonds2

About 1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene

1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene (PubChem CID 134623777) has the molecular formula C12H6Cl2FNO2 and a molecular weight of 286.09 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene
PubChem CID134623777
Molecular FormulaC12H6Cl2FNO2
Molecular Weight286.09 g/mol
Exact Mass284.98
IUPAC Name1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)cc(-c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C12H6Cl2FNO2/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(4-8)16(17)18/h1-6H
InChIKeyNFCCKAFDXUJYBJ-UHFFFAOYSA-N
XLogP4.71
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,2,5-trichloro-3-(3-fluoro-5-nitrophenyl)benzene
CID 134630168
methyl 3-(3-chloro-5-fluorophenyl)-5-nitrobenzoate
CID 75488454
N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
CID 107368860
2,6-bis(3,5-dichlorophenyl)-4-nitropyridine
CID 133087448
N-[(3,5-dichlorophenyl)methyl]-3-fluoro-5-nitroaniline
CID 107334707
2-(3-chloro-5-fluorophenyl)-4-nitrobenzoic acid
CID 53226908
1-(chloromethyl)-3-fluoro-5-nitrobenzene
CID 56924386
1-chloro-3-nitro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 134629842
3-chloro-5-fluoro-N-[(3-fluoro-5-nitrophenyl)methyl]aniline
CID 107364783
4-(3,5-dichlorophenyl)-1-nitro-2-(trifluoromethyl)benzene
CID 134623765
3,5-dichloro-4-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 107576838
3-(3,5-dichlorophenyl)-5-fluorobenzaldehyde
CID 134623785

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene (CID 134623777) is 1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene is O=[N+]([O-])c1cc(F)cc(-c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene?
The InChIKey is NFCCKAFDXUJYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO2/c13-9-1-7(2-10(14)5-9)8-3-11(15)6-12(4-8)16(17)18/h1-6H.
What are the key properties of 1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene?
1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene has a molecular weight of 286.09 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-fluoro-5-nitrobenzene is sourced from PubChem (CID 134623777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).