4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

C13H20F6O2 — CID 59602147

IUPAC4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESCCOC(CC(O)(C(F)(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H20F6O2/c1-2-21-10(9-6-4-3-5-7-9)8-11(20,12(14,15)16)13(17,18)19/h9-10,20H,2-8H2,1H3
InChIKeyWFXZWSMULGZCHO-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.22
Rot. Bonds5

About 4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (PubChem CID 59602147) has the molecular formula C13H20F6O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
PubChem CID59602147
Molecular FormulaC13H20F6O2
Molecular Weight322.29 g/mol
Exact Mass322.14
IUPAC Name4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESCCOC(CC(O)(C(F)(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H20F6O2/c1-2-21-10(9-6-4-3-5-7-9)8-11(20,12(14,15)16)13(17,18)19/h9-10,20H,2-8H2,1H3
InChIKeyWFXZWSMULGZCHO-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol 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-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of 4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (CID 59602147) is 4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is CCOC(CC(O)(C(F)(F)F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The InChIKey is WFXZWSMULGZCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6O2/c1-2-21-10(9-6-4-3-5-7-9)8-11(20,12(14,15)16)13(17,18)19/h9-10,20H,2-8H2,1H3.
What are the key properties of 4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol has a molecular weight of 322.29 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 59602147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).