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

C24H40F2O — CID 20599461

IUPAC2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane
SMILESCCCC1CCC(CCC2CCC(C3CCC(C=C(F)F)OC3)CC2)CC1
InChIInChI=1S/C24H40F2O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-15-23(27-17-22)16-24(25)26/h16,18-23H,2-15,17H2,1H3
InChIKeyUKCOHTRGAVMRRF-UHFFFAOYSA-N
MW382.58 g/mol
LogP7.76
Rot. Bonds7

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

2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane (PubChem CID 20599461) has the molecular formula C24H40F2O and a molecular weight of 382.58 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane
PubChem CID20599461
Molecular FormulaC24H40F2O
Molecular Weight382.58 g/mol
Exact Mass382.30
IUPAC Name2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane
SMILESCCCC1CCC(CCC2CCC(C3CCC(C=C(F)F)OC3)CC2)CC1
InChIInChI=1S/C24H40F2O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-15-23(27-17-22)16-24(25)26/h16,18-23H,2-15,17H2,1H3
InChIKeyUKCOHTRGAVMRRF-UHFFFAOYSA-N
XLogP7.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.58
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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-methoxycyclohexyl)cyclohexane
CID 19842846
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane?
The IUPAC name of 2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane (CID 20599461) is 2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane?
The canonical SMILES for 2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane is CCCC1CCC(CCC2CCC(C3CCC(C=C(F)F)OC3)CC2)CC1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane?
The InChIKey is UKCOHTRGAVMRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40F2O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-15-23(27-17-22)16-24(25)26/h16,18-23H,2-15,17H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane?
2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane has a molecular weight of 382.58 g/mol, XLogP of 7.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane is sourced from PubChem (CID 20599461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).