4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane

C16H25F3O3 — CID 156554509

IUPAC4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane
SMILESCC1CCC2CCCC3C(C)C(OCC(F)(F)F)OC(O1)C23
InChIInChI=1S/C16H25F3O3/c1-9-6-7-11-4-3-5-12-10(2)14(20-8-16(17,18)19)22-15(21-9)13(11)12/h9-15H,3-8H2,1-2H3
InChIKeyGFDQVUSEFYFJRJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.12
Rot. Bonds2

About 4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane

4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane (PubChem CID 156554509) has the molecular formula C16H25F3O3 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane.

Molecular Properties

Compound Name4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane
PubChem CID156554509
Molecular FormulaC16H25F3O3
Molecular Weight322.37 g/mol
Exact Mass322.18
IUPAC Name4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane
SMILESCC1CCC2CCCC3C(C)C(OCC(F)(F)F)OC(O1)C23
InChIInChI=1S/C16H25F3O3/c1-9-6-7-11-4-3-5-12-10(2)14(20-8-16(17,18)19)22-15(21-9)13(11)12/h9-15H,3-8H2,1-2H3
InChIKeyGFDQVUSEFYFJRJ-UHFFFAOYSA-N
XLogP4.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane?
The IUPAC name of 4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane (CID 156554509) is 4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane.
What is the SMILES notation for 4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane?
The canonical SMILES for 4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane is CC1CCC2CCCC3C(C)C(OCC(F)(F)F)OC(O1)C23.
What is the InChIKey of 4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane?
The InChIKey is GFDQVUSEFYFJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3O3/c1-9-6-7-11-4-3-5-12-10(2)14(20-8-16(17,18)19)22-15(21-9)13(11)12/h9-15H,3-8H2,1-2H3.
What are the key properties of 4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane?
4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane has a molecular weight of 322.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-dimethyl-3-(2,2,2-trifluoroethoxy)-2,13-dioxatricyclo[7.4.1.05,14]tetradecane is sourced from PubChem (CID 156554509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).