6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene

C23H36F2O — CID 135127678

IUPAC6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
SMILESCCCC1CCC(C2CCC(C3=CCC(OCC)C(F)=C3F)CC2)CC1
InChIInChI=1S/C23H36F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h14,16-19,21H,3-13,15H2,1-2H3
InChIKeyWQKDDRGUZOXVHD-UHFFFAOYSA-N
MW366.54 g/mol
LogP7.29
Rot. Bonds6

About 6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene

6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene (PubChem CID 135127678) has the molecular formula C23H36F2O and a molecular weight of 366.54 g/mol. Its IUPAC name is 6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
PubChem CID135127678
Molecular FormulaC23H36F2O
Molecular Weight366.54 g/mol
Exact Mass366.27
IUPAC Name6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
SMILESCCCC1CCC(C2CCC(C3=CCC(OCC)C(F)=C3F)CC2)CC1
InChIInChI=1S/C23H36F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h14,16-19,21H,3-13,15H2,1-2H3
InChIKeyWQKDDRGUZOXVHD-UHFFFAOYSA-N
XLogP7.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.54
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 145418883
5-ethoxy-2-(4-propylcyclohexyl)cyclohexa-1,3-diene
CID 59015301
2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 21263652
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
CID 22886261
1,3-difluoro-2-(fluoromethyl)-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 70821004
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The IUPAC name of 6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene (CID 135127678) is 6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene.
What is the SMILES notation for 6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The canonical SMILES for 6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene is CCCC1CCC(C2CCC(C3=CCC(OCC)C(F)=C3F)CC2)CC1.
What is the InChIKey of 6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The InChIKey is WQKDDRGUZOXVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h14,16-19,21H,3-13,15H2,1-2H3.
What are the key properties of 6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene has a molecular weight of 366.54 g/mol, XLogP of 7.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene is sourced from PubChem (CID 135127678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).