1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene

C24H11Cl4F3 — CID 173413351

IUPAC1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene
SMILESFc1cccc(F)c1-c1c(Cl)cc(Cl)c(-c2c(F)cccc2Cl)c1-c1ccccc1Cl
InChIInChI=1S/C24H11Cl4F3/c25-13-6-2-1-5-12(13)20-22(21-14(26)7-3-8-17(21)29)15(27)11-16(28)23(20)24-18(30)9-4-10-19(24)31/h1-11H
InChIKeyXQXHHTATTILJBR-UHFFFAOYSA-N
MW498.16 g/mol
LogP9.72
Rot. Bonds3

About 1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene

1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene (PubChem CID 173413351) has the molecular formula C24H11Cl4F3 and a molecular weight of 498.16 g/mol. Its IUPAC name is 1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene.

Molecular Properties

Compound Name1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene
PubChem CID173413351
Molecular FormulaC24H11Cl4F3
Molecular Weight498.16 g/mol
Exact Mass495.96
IUPAC Name1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene
SMILESFc1cccc(F)c1-c1c(Cl)cc(Cl)c(-c2c(F)cccc2Cl)c1-c1ccccc1Cl
InChIInChI=1S/C24H11Cl4F3/c25-13-6-2-1-5-12(13)20-22(21-14(26)7-3-8-17(21)29)15(27)11-16(28)23(20)24-18(30)9-4-10-19(24)31/h1-11H
InChIKeyXQXHHTATTILJBR-UHFFFAOYSA-N
XLogP9.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.16
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-chloro-2-(2-chlorophenyl)phenol
CID 69117513
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene
CID 103587069
2-(2-chlorophenyl)benzene-1,3-diol
CID 163363337
1-chloro-3-fluoro-2-(4-fluorophenyl)benzene
CID 57094846
1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene
CID 118329291
2-(bromomethyl)-1-(2,6-dichlorophenyl)-3-fluorobenzene
CID 134619388
2-(2,6-dichlorophenyl)-4,5-difluorophenol
CID 119020027
1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene
CID 102907628
4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014
N-[3,5-dichloro-4-(2-fluorophenyl)phenyl]thiohydroxylamine
CID 130179427
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene?
The IUPAC name of 1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene (CID 173413351) is 1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene.
What is the SMILES notation for 1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene?
The canonical SMILES for 1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene is Fc1cccc(F)c1-c1c(Cl)cc(Cl)c(-c2c(F)cccc2Cl)c1-c1ccccc1Cl.
What is the InChIKey of 1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene?
The InChIKey is XQXHHTATTILJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11Cl4F3/c25-13-6-2-1-5-12(13)20-22(21-14(26)7-3-8-17(21)29)15(27)11-16(28)23(20)24-18(30)9-4-10-19(24)31/h1-11H.
What are the key properties of 1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene?
1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene has a molecular weight of 498.16 g/mol, XLogP of 9.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-(2-chloro-6-fluorophenyl)-3-(2-chlorophenyl)-4-(2,6-difluorophenyl)benzene is sourced from PubChem (CID 173413351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).