4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene

C24H36F2 — CID 14993441

IUPAC4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
SMILESCCCCC1CCC(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H36F2/c1-2-3-4-18-7-12-21(13-8-18)22-14-9-19(10-15-22)5-6-20-11-16-23(25)24(26)17-20/h11,16-19,21-22H,2-10,12-15H2,1H3
InChIKeyDWOWVQSFFAYDRO-UHFFFAOYSA-N
MW362.55 g/mol
LogP7.70
Rot. Bonds7

About 4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene

4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene (PubChem CID 14993441) has the molecular formula C24H36F2 and a molecular weight of 362.55 g/mol. Its IUPAC name is 4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
PubChem CID14993441
Molecular FormulaC24H36F2
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Name4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
SMILESCCCCC1CCC(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C24H36F2/c1-2-3-4-18-7-12-21(13-8-18)22-14-9-19(10-15-22)5-6-20-11-16-23(25)24(26)17-20/h11,16-19,21-22H,2-10,12-15H2,1H3
InChIKeyDWOWVQSFFAYDRO-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 54106542
CID 54106542
4-[2-[4-[(E)-2-[4-(4-ethylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]ethyl]-1,2-difluorobenzene
CID 19992698
4-[4-[4-(3,4-difluorophenyl)butyl]cyclohexyl]-1-pentylsilinane
CID 54734202
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
2-fluoro-1-[2-[2-[2-fluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]phenyl]ethoxy]ethyl]-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]benzene
CID 140976267
4-[2-[4-(4-decylcyclohexyl)cyclohexyl]ethyl]-2-fluorobenzonitrile
CID 67894337
4-[4-[2-(3,4-difluorophenyl)ethyl]cyclohexyl]-1-pentyl-1-phenylsilinane
CID 19420002
1-(4-butylcyclohexyl)-2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 151687811
1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54560708
5-[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]phenyl]-1,3-difluoro-2-(fluoromethyl)benzene
CID 70820995
1,2-difluoro-4-[(Z)-4-[4-(4-pentylcyclohexyl)cyclohexyl]but-2-enyl]benzene
CID 67680833
[4-[2-(4-butylcyclohexyl)ethyl]-2-fluorophenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 54337985

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene?
The IUPAC name of 4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene (CID 14993441) is 4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene is CCCCC1CCC(C2CCC(CCc3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene?
The InChIKey is DWOWVQSFFAYDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2/c1-2-3-4-18-7-12-21(13-8-18)22-14-9-19(10-15-22)5-6-20-11-16-23(25)24(26)17-20/h11,16-19,21-22H,2-10,12-15H2,1H3.
What are the key properties of 4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene?
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene has a molecular weight of 362.55 g/mol, XLogP of 7.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene is sourced from PubChem (CID 14993441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).