1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene

C24H20Cl2F4 — CID 167020385

IUPAC1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(CCc2ccc(CCc3ccc(C)c(F)c3Cl)c(Cl)c2F)c(F)c1F
InChIInChI=1S/C24H20Cl2F4/c1-13-3-5-15(19(25)21(13)27)7-8-16-9-10-17(23(29)20(16)26)11-12-18-6-4-14(2)22(28)24(18)30/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyVPYUBJANCGTMCT-UHFFFAOYSA-N
MW455.32 g/mol
LogP7.74
Rot. Bonds6

About 1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene

1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene (PubChem CID 167020385) has the molecular formula C24H20Cl2F4 and a molecular weight of 455.32 g/mol. Its IUPAC name is 1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene
PubChem CID167020385
Molecular FormulaC24H20Cl2F4
Molecular Weight455.32 g/mol
Exact Mass454.09
IUPAC Name1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(CCc2ccc(CCc3ccc(C)c(F)c3Cl)c(Cl)c2F)c(F)c1F
InChIInChI=1S/C24H20Cl2F4/c1-13-3-5-15(19(25)21(13)27)7-8-16-9-10-17(23(29)20(16)26)11-12-18-6-4-14(2)22(28)24(18)30/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyVPYUBJANCGTMCT-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.32
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-methyl-4-[2-(2,4,5-trifluorophenyl)ethyl]benzene
CID 155200965
3-[2-(2,3-difluoro-4-methylphenyl)ethyl]-1,2,8-trifluoro-7-methylnaphthalene
CID 130258085
1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117304677
4-(2,3-difluoro-4-methylphenyl)butan-2-amine
CID 107514336
1-(3-ethylpentyl)-2,3-difluoro-4-methylbenzene
CID 123274263
1-(chloromethyl)-3-fluoro-2,4-dimethylbenzene
CID 67280015
1-(2,3-difluoro-4-methylphenyl)-4-methylpentan-3-one
CID 107514321
1-(chloromethyl)-2-fluoro-3,4-dimethylbenzene
CID 130837762
1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 84654035
1-(2,3-difluoro-4-methylphenyl)hexan-3-ol
CID 107514399
2-chloro-1-(2-chloro-3-fluoro-4-methylphenyl)ethanone
CID 130775332
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene (CID 167020385) is 1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene is Cc1ccc(CCc2ccc(CCc3ccc(C)c(F)c3Cl)c(Cl)c2F)c(F)c1F.
What is the InChIKey of 1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is VPYUBJANCGTMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F4/c1-13-3-5-15(19(25)21(13)27)7-8-16-9-10-17(23(29)20(16)26)11-12-18-6-4-14(2)22(28)24(18)30/h3-6,9-10H,7-8,11-12H2,1-2H3.
What are the key properties of 1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene?
1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 455.32 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-chloro-4-[2-(2-chloro-3-fluoro-4-methylphenyl)ethyl]-2-fluorophenyl]ethyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 167020385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).