1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene

C24H34ClF3O — CID 139947221

IUPAC1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCCCC1CCC(CCC2CCC(c3ccc(Cl)c(F)c3OC(F)F)CC2)CC1
InChIInChI=1S/C24H34ClF3O/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-12-19(13-11-18)20-14-15-21(25)22(26)23(20)29-24(27)28/h14-19,24H,2-13H2,1H3
InChIKeyHAWUEMVKOZERNE-UHFFFAOYSA-N
MW430.98 g/mol
LogP8.74
Rot. Bonds8

About 1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene

1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene (PubChem CID 139947221) has the molecular formula C24H34ClF3O and a molecular weight of 430.98 g/mol. Its IUPAC name is 1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
PubChem CID139947221
Molecular FormulaC24H34ClF3O
Molecular Weight430.98 g/mol
Exact Mass430.23
IUPAC Name1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
SMILESCCCC1CCC(CCC2CCC(c3ccc(Cl)c(F)c3OC(F)F)CC2)CC1
InChIInChI=1S/C24H34ClF3O/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-12-19(13-11-18)20-14-15-21(25)22(26)23(20)29-24(27)28/h14-19,24H,2-13H2,1H3
InChIKeyHAWUEMVKOZERNE-UHFFFAOYSA-N
XLogP8.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 139947269
4-chloro-2-(difluoromethoxy)-1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 139947205
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-chloro-2-(difluoromethoxy)-3-fluorobenzene
CID 139947280
1-chloro-2-fluoro-3-(3-propylcyclopentyl)benzene
CID 166167692
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 58839716
1-ethoxy-2-ethyl-3-fluoro-4-(4-propylcyclohexyl)benzene
CID 118312086
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
CID 19103585

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The IUPAC name of 1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene (CID 139947221) is 1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene.
What is the SMILES notation for 1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The canonical SMILES for 1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene is CCCC1CCC(CCC2CCC(c3ccc(Cl)c(F)c3OC(F)F)CC2)CC1.
What is the InChIKey of 1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
The InChIKey is HAWUEMVKOZERNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClF3O/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-12-19(13-11-18)20-14-15-21(25)22(26)23(20)29-24(27)28/h14-19,24H,2-13H2,1H3.
What are the key properties of 1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene?
1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene has a molecular weight of 430.98 g/mol, XLogP of 8.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene is sourced from PubChem (CID 139947221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).