1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene

C23H36F2 — CID 22373162

IUPAC1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene
SMILESCCCC1CCC(CCC2CCC(C3(F)C=CCC=C3F)CC2)CC1
InChIInChI=1S/C23H36F2/c1-2-5-18-7-9-19(10-8-18)11-12-20-13-15-21(16-14-20)23(25)17-4-3-6-22(23)24/h4,6,17-21H,2-3,5,7-16H2,1H3
InChIKeyRTNZLKFJLZAQJW-UHFFFAOYSA-N
MW350.54 g/mol
LogP7.70
Rot. Bonds6

About 1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene

1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene (PubChem CID 22373162) has the molecular formula C23H36F2 and a molecular weight of 350.54 g/mol. Its IUPAC name is 1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene.

Molecular Properties

Compound Name1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene
PubChem CID22373162
Molecular FormulaC23H36F2
Molecular Weight350.54 g/mol
Exact Mass350.28
IUPAC Name1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene
SMILESCCCC1CCC(CCC2CCC(C3(F)C=CCC=C3F)CC2)CC1
InChIInChI=1S/C23H36F2/c1-2-5-18-7-9-19(10-8-18)11-12-20-13-15-21(16-14-20)23(25)17-4-3-6-22(23)24/h4,6,17-21H,2-3,5,7-16H2,1H3
InChIKeyRTNZLKFJLZAQJW-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.54
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trifluoro-3-(4-heptylcyclohexyl)cyclohexa-1,4-diene
CID 18702610
ethane;propane;propylcyclopropane
CID 145406182
1,2,3-trifluoro-3-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]cyclohexa-1,4-diene
CID 22373800
2,2-difluoro-5-[2-(4-propylcyclohexyl)ethyl]-1,3-dioxane
CID 59875976
3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol
CID 90411193
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
1,1-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 101074767
1,1-bis(4-propylcyclohexyl)cyclohexane
CID 54232179
6-phenyl-3,3-bis(4-propylcyclohexyl)cyclohexa-1,4-diene
CID 173386390
1,4-dipropylcyclohexane;pentane
CID 90867354
2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene
CID 58383271
3-propyl-6-[2-(4-propylcyclohexyl)ethyl]cyclohexene
CID 123149803

Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene?
The IUPAC name of 1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene (CID 22373162) is 1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene.
What is the SMILES notation for 1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene?
The canonical SMILES for 1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene is CCCC1CCC(CCC2CCC(C3(F)C=CCC=C3F)CC2)CC1.
What is the InChIKey of 1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene?
The InChIKey is RTNZLKFJLZAQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36F2/c1-2-5-18-7-9-19(10-8-18)11-12-20-13-15-21(16-14-20)23(25)17-4-3-6-22(23)24/h4,6,17-21H,2-3,5,7-16H2,1H3.
What are the key properties of 1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene?
1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene has a molecular weight of 350.54 g/mol, XLogP of 7.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-6-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexa-1,4-diene is sourced from PubChem (CID 22373162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).