2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane

C29H48F2O2 — CID 20599459

IUPAC2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane
SMILESCCOC1CCC(C2CCC(CCC3CCC(C4CCC(C=C(F)F)OC4)CC3)CC2)CC1
InChIInChI=1S/C29H48F2O2/c1-2-32-27-16-13-24(14-17-27)23-9-5-21(6-10-23)3-4-22-7-11-25(12-8-22)26-15-18-28(33-20-26)19-29(30)31/h19,21-28H,2-18,20H2,1H3
InChIKeyCAEVMKIQVOYMIV-UHFFFAOYSA-N
MW466.70 g/mol
LogP8.55
Rot. Bonds8

About 2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane

2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane (PubChem CID 20599459) has the molecular formula C29H48F2O2 and a molecular weight of 466.70 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane
PubChem CID20599459
Molecular FormulaC29H48F2O2
Molecular Weight466.70 g/mol
Exact Mass466.36
IUPAC Name2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane
SMILESCCOC1CCC(C2CCC(CCC3CCC(C4CCC(C=C(F)F)OC4)CC3)CC2)CC1
InChIInChI=1S/C29H48F2O2/c1-2-32-27-16-13-24(14-17-27)23-9-5-21(6-10-23)3-4-22-7-11-25(12-8-22)26-15-18-28(33-20-26)19-29(30)31/h19,21-28H,2-18,20H2,1H3
InChIKeyCAEVMKIQVOYMIV-UHFFFAOYSA-N
XLogP8.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.70
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane with MolForge

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Related Compounds

1-(2,2-Difluoroethenyl)-4-(4-dodecoxycyclohexyl)cyclohexane
CID 19842702
1-(2,2-Difluoroethenyl)-4-(4-ethoxycyclohexyl)cyclohexane
CID 19842730
1-Decoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 19842733
1-Butoxy-4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexane
CID 19842747
1-(2,2-Difluoroethenyl)-4-(4-propoxycyclohexyl)cyclohexane
CID 19842752
1-(2,2-Difluoroethenyl)-4-(4-pentoxycyclohexyl)cyclohexane
CID 19842753
1-(2,2-Difluoroethenyl)-4-(4-hexoxycyclohexyl)cyclohexane
CID 19842772
1-(2,2-Difluoroethenyl)-4-(4-octoxycyclohexyl)cyclohexane
CID 19842845
1-(2,2-Difluoroethenyl)-4-(4-heptoxycyclohexyl)cyclohexane
CID 19842878
1-(2,2-Difluoroethenyl)-4-(4-undecoxycyclohexyl)cyclohexane
CID 19842897
1-(2,2-Difluoroethenyl)-4-(4-nonoxycyclohexyl)cyclohexane
CID 19842902
2-(2,2-Difluoroethenyl)-5-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]oxane
CID 20599452

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane?
The IUPAC name of 2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane (CID 20599459) is 2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane?
The canonical SMILES for 2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane is CCOC1CCC(C2CCC(CCC3CCC(C4CCC(C=C(F)F)OC4)CC3)CC2)CC1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane?
The InChIKey is CAEVMKIQVOYMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48F2O2/c1-2-32-27-16-13-24(14-17-27)23-9-5-21(6-10-23)3-4-22-7-11-25(12-8-22)26-15-18-28(33-20-26)19-29(30)31/h19,21-28H,2-18,20H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane?
2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane has a molecular weight of 466.70 g/mol, XLogP of 8.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-5-[4-[2-[4-(4-ethoxycyclohexyl)cyclohexyl]ethyl]cyclohexyl]oxane is sourced from PubChem (CID 20599459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).