1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene

C24H36F2 — CID 139710805

IUPAC1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
SMILESCCCC1CCC(C(C)CC2CCC(c3cc(F)cc(F)c3)CC2)CC1
InChIInChI=1S/C24H36F2/c1-3-4-18-5-9-20(10-6-18)17(2)13-19-7-11-21(12-8-19)22-14-23(25)16-24(26)15-22/h14-21H,3-13H2,1-2H3
InChIKeyMQOPBEBMQNAUMK-UHFFFAOYSA-N
MW362.55 g/mol
LogP7.87
Rot. Bonds6

About 1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene

1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene (PubChem CID 139710805) has the molecular formula C24H36F2 and a molecular weight of 362.55 g/mol. Its IUPAC name is 1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
PubChem CID139710805
Molecular FormulaC24H36F2
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Name1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
SMILESCCCC1CCC(C(C)CC2CCC(c3cc(F)cc(F)c3)CC2)CC1
InChIInChI=1S/C24H36F2/c1-3-4-18-5-9-20(10-6-18)17(2)13-19-7-11-21(12-8-19)22-14-23(25)16-24(26)15-22/h14-21H,3-13H2,1-2H3
InChIKeyMQOPBEBMQNAUMK-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-3,5-difluorobenzene
CID 139710926
1,2-difluoro-4-[4-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]phenyl]benzene
CID 139710818
1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
CID 139710938
5-[4-[2-(4-ethylcyclohexyl)propyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 139710881
5-[4-[2-(4-butylcyclohexyl)propyl]cyclohexyl]-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluorobenzene
CID 139710874
1,3-difluoro-5-[2-(4-pentylcyclohexyl)propyl]benzene
CID 139691903
1,2,3-trifluoro-5-[2-(4-propylcyclohexyl)propyl]benzene
CID 139691879
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
1,3-difluoro-5-[4-(7-fluoroheptyl)cyclohexyl]benzene
CID 20663479
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene?
The IUPAC name of 1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene (CID 139710805) is 1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene.
What is the SMILES notation for 1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene?
The canonical SMILES for 1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene is CCCC1CCC(C(C)CC2CCC(c3cc(F)cc(F)c3)CC2)CC1.
What is the InChIKey of 1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene?
The InChIKey is MQOPBEBMQNAUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F2/c1-3-4-18-5-9-20(10-6-18)17(2)13-19-7-11-21(12-8-19)22-14-23(25)16-24(26)15-22/h14-21H,3-13H2,1-2H3.
What are the key properties of 1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene?
1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene has a molecular weight of 362.55 g/mol, XLogP of 7.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene is sourced from PubChem (CID 139710805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).