5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane

C25H40F4O — CID 123343356

IUPAC5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane
SMILESCCCC1CCC(CCC2CCC(C3CCC(C(F)=CC(F)(F)F)OC3)CC2)CC1
InChIInChI=1S/C25H40F4O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-15-24(30-17-22)23(26)16-25(27,28)29/h16,18-22,24H,2-15,17H2,1H3
InChIKeyHFKBXEYWIBATKE-UHFFFAOYSA-N
MW432.59 g/mol
LogP8.39
Rot. Bonds7

About 5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane

5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane (PubChem CID 123343356) has the molecular formula C25H40F4O and a molecular weight of 432.59 g/mol. Its IUPAC name is 5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane.

Molecular Properties

Compound Name5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane
PubChem CID123343356
Molecular FormulaC25H40F4O
Molecular Weight432.59 g/mol
Exact Mass432.30
IUPAC Name5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane
SMILESCCCC1CCC(CCC2CCC(C3CCC(C(F)=CC(F)(F)F)OC3)CC2)CC1
InChIInChI=1S/C25H40F4O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-15-24(30-17-22)23(26)16-25(27,28)29/h16,18-22,24H,2-15,17H2,1H3
InChIKeyHFKBXEYWIBATKE-UHFFFAOYSA-N
XLogP8.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane with MolForge

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Related Compounds

5-[2-(4-propylcyclohexyl)ethyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)-1,3-dioxane
CID 123381650
5-[4-[2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]oxane
CID 123480399
2-[3,5-difluoro-4-(1,3,3,3-tetrafluoroprop-1-enyl)phenyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 123239104
[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 123669151
1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 74060332
[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol
CID 70829322
5-(4-pentylcyclohexyl)-2-[4-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]phenyl]oxane
CID 123862596
5-propyl-2-[2-[4-(1,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethenyl]-1,3-dioxane
CID 123450659
5-[4-(4-butylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)oxane
CID 154524317
2-[2-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 20599508
2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-5-(5-propyl-1,3-dioxan-2-yl)-1,3-dioxane
CID 20599518
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]oxane
CID 58620462

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane?
The IUPAC name of 5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane (CID 123343356) is 5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane.
What is the SMILES notation for 5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane?
The canonical SMILES for 5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane is CCCC1CCC(CCC2CCC(C3CCC(C(F)=CC(F)(F)F)OC3)CC2)CC1.
What is the InChIKey of 5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane?
The InChIKey is HFKBXEYWIBATKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40F4O/c1-2-3-18-4-6-19(7-5-18)8-9-20-10-12-21(13-11-20)22-14-15-24(30-17-22)23(26)16-25(27,28)29/h16,18-22,24H,2-15,17H2,1H3.
What are the key properties of 5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane?
5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane has a molecular weight of 432.59 g/mol, XLogP of 8.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-2-(1,3,3,3-tetrafluoroprop-1-enyl)oxane is sourced from PubChem (CID 123343356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).