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

C23H34F2 — CID 139724444

IUPAC4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
SMILESCCCCC1CCC(CC2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C23H34F2/c1-2-3-4-17-5-7-18(8-6-17)15-19-9-11-20(12-10-19)21-13-14-22(24)23(25)16-21/h13-14,16-20H,2-12,15H2,1H3
InChIKeyUTUNCVOZAPLQOK-UHFFFAOYSA-N
MW348.52 g/mol
LogP7.63
Rot. Bonds6

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

4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene (PubChem CID 139724444) has the molecular formula C23H34F2 and a molecular weight of 348.52 g/mol. Its IUPAC name is 4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
PubChem CID139724444
Molecular FormulaC23H34F2
Molecular Weight348.52 g/mol
Exact Mass348.26
IUPAC Name4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
SMILESCCCCC1CCC(CC2CCC(c3ccc(F)c(F)c3)CC2)CC1
InChIInChI=1S/C23H34F2/c1-2-3-4-17-5-7-18(8-6-17)15-19-9-11-20(12-10-19)21-13-14-22(24)23(25)16-21/h13-14,16-20H,2-12,15H2,1H3
InChIKeyUTUNCVOZAPLQOK-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.52
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
1-[2-(4-butylcyclohexyl)ethyl]-2-fluoro-4-(4-pentylcyclohexyl)benzene
CID 151118994
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
CID 57074379
2-fluoro-1-iodo-4-(4-pentylcyclohexyl)benzene
CID 59592418
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
CID 139710939
1-[4-(4-butylcyclohexyl)phenyl]-2,4,5-trifluorobenzene
CID 67805684

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene (CID 139724444) is 4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene is CCCCC1CCC(CC2CCC(c3ccc(F)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene?
The InChIKey is UTUNCVOZAPLQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2/c1-2-3-4-17-5-7-18(8-6-17)15-19-9-11-20(12-10-19)21-13-14-22(24)23(25)16-21/h13-14,16-20H,2-12,15H2,1H3.
What are the key properties of 4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene?
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene has a molecular weight of 348.52 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene is sourced from PubChem (CID 139724444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).