1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane

C18H33F3O2 — CID 129259407

IUPAC1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
SMILESCC(C)(C)COC1CCC(CC(C)(C)COCC(F)(F)F)CC1
InChIInChI=1S/C18H33F3O2/c1-16(2,3)11-23-15-8-6-14(7-9-15)10-17(4,5)12-22-13-18(19,20)21/h14-15H,6-13H2,1-5H3
InChIKeyRTAWQZKCOJCDCW-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.60
Rot. Bonds7

About 1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane

1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane (PubChem CID 129259407) has the molecular formula C18H33F3O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
PubChem CID129259407
Molecular FormulaC18H33F3O2
Molecular Weight338.45 g/mol
Exact Mass338.24
IUPAC Name1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
SMILESCC(C)(C)COC1CCC(CC(C)(C)COCC(F)(F)F)CC1
InChIInChI=1S/C18H33F3O2/c1-16(2,3)11-23-15-8-6-14(7-9-15)10-17(4,5)12-22-13-18(19,20)21/h14-15H,6-13H2,1-5H3
InChIKeyRTAWQZKCOJCDCW-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Tert-butyl-4-(trifluoromethoxy)cyclohexane
CID 138972410
Difluorothromboxane
CID 129674200
trans-4-Heptylcyclohexylmethyl trans-4-trifluoromethylcyclohexyl ether
CID 19763111
1-Ethoxy-4-[1,1,1,3,3,3-hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]cyclohexane
CID 20583759
1-[1,1,1,3,3,3-Hexafluoro-2-(4-propoxycyclohexyl)propan-2-yl]-4-propoxycyclohexane
CID 20583761
1-Heptan-4-yl-2-[[4-(trifluoromethyl)cyclohexyl]oxymethyl]cyclohexane
CID 57030806
1-(5-Cyclohexyloxy-4,4-difluoropentyl)-4-propylcyclohexane
CID 57253877
1-(3-Cyclohexyloxy-1,1-difluoropropyl)-4-propylcyclohexane
CID 57274192
1-(5-Cyclohexyloxy-3,3-difluoropentyl)-4-propylcyclohexane
CID 57299421
[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 57806697
1-(1,1-Difluoroethoxy)-4-propylcyclohexane
CID 57922648
7,7-Difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane
CID 58275561

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane?
The IUPAC name of 1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane (CID 129259407) is 1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane is CC(C)(C)COC1CCC(CC(C)(C)COCC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane?
The InChIKey is RTAWQZKCOJCDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F3O2/c1-16(2,3)11-23-15-8-6-14(7-9-15)10-17(4,5)12-22-13-18(19,20)21/h14-15H,6-13H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane?
1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane has a molecular weight of 338.45 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-4-[2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propyl]cyclohexane is sourced from PubChem (CID 129259407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).