3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene

C24H10Cl4F3NO2 — CID 140989930

IUPAC3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2c(F)cc(-c3cccc(F)c3F)c(-c3ccc(Cl)cc3Cl)c2Cl)c1
InChIInChI=1S/C24H10Cl4F3NO2/c25-11-4-6-14(18(27)8-11)21-15(13-2-1-3-19(29)24(13)31)10-20(30)22(23(21)28)16-9-12(32(33)34)5-7-17(16)26/h1-10H
InChIKeyPGSGCRHJDVJNBV-UHFFFAOYSA-N
MW543.16 g/mol
LogP9.63
Rot. Bonds4

About 3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene

3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene (PubChem CID 140989930) has the molecular formula C24H10Cl4F3NO2 and a molecular weight of 543.16 g/mol. Its IUPAC name is 3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene.

Molecular Properties

Compound Name3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene
PubChem CID140989930
Molecular FormulaC24H10Cl4F3NO2
Molecular Weight543.16 g/mol
Exact Mass540.94
IUPAC Name3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2c(F)cc(-c3cccc(F)c3F)c(-c3ccc(Cl)cc3Cl)c2Cl)c1
InChIInChI=1S/C24H10Cl4F3NO2/c25-11-4-6-14(18(27)8-11)21-15(13-2-1-3-19(29)24(13)31)10-20(30)22(23(21)28)16-9-12(32(33)34)5-7-17(16)26/h1-10H
InChIKeyPGSGCRHJDVJNBV-UHFFFAOYSA-N
XLogP9.63
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.16
LogP ≤ 59.63
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

1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene
CID 134630362
2-chloro-1-(2-chloro-5-nitrophenyl)-3-nitrobenzene
CID 171785769
1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene
CID 67429755
2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-nitrophenoxy]-4-nitrobenzene
CID 21417787
5-(2-chloro-5-nitrophenyl)-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 30028780
1,3-dichloro-2-fluorobenzene;1,2-dichloro-4-nitrobenzene
CID 141059072
2-(2-chloro-5-nitrophenyl)furan
CID 15318128
2-amino-4-(2-chloro-5-nitrophenyl)-6-(2-fluorophenyl)pyridine-3-carbonitrile
CID 5119563
3-(2,4-dichlorophenyl)-2-fluorobenzoyl chloride
CID 134617901
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene
CID 141040222
1,3,5-trichloro-2-[5-nitro-2-(trifluoromethyl)phenyl]benzene
CID 134630364
2-(5-chloro-2-fluorophenyl)-5-nitrobenzonitrile
CID 171663264

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene?
The IUPAC name of 3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene (CID 140989930) is 3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene.
What is the SMILES notation for 3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene?
The canonical SMILES for 3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene is O=[N+]([O-])c1ccc(Cl)c(-c2c(F)cc(-c3cccc(F)c3F)c(-c3ccc(Cl)cc3Cl)c2Cl)c1.
What is the InChIKey of 3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene?
The InChIKey is PGSGCRHJDVJNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10Cl4F3NO2/c25-11-4-6-14(18(27)8-11)21-15(13-2-1-3-19(29)24(13)31)10-20(30)22(23(21)28)16-9-12(32(33)34)5-7-17(16)26/h1-10H.
What are the key properties of 3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene?
3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene has a molecular weight of 543.16 g/mol, XLogP of 9.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene is sourced from PubChem (CID 140989930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).