1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol

C15H25F3O2 — CID 114622075

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1(C)CC(C2(O)CCCC(C(F)(F)F)C2)C(C)(C)O1
InChIInChI=1S/C15H25F3O2/c1-12(2)9-11(13(3,4)20-12)14(19)7-5-6-10(8-14)15(16,17)18/h10-11,19H,5-9H2,1-4H3
InChIKeyXVYOOFLEDRDRSI-UHFFFAOYSA-N
MW294.36 g/mol
LogP4.06
Rot. Bonds1

About 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 114622075) has the molecular formula C15H25F3O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID114622075
Molecular FormulaC15H25F3O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1(C)CC(C2(O)CCCC(C(F)(F)F)C2)C(C)(C)O1
InChIInChI=1S/C15H25F3O2/c1-12(2)9-11(13(3,4)20-12)14(19)7-5-6-10(8-14)15(16,17)18/h10-11,19H,5-9H2,1-4H3
InChIKeyXVYOOFLEDRDRSI-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 114622075) is 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol is CC1(C)CC(C2(O)CCCC(C(F)(F)F)C2)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is XVYOOFLEDRDRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O2/c1-12(2)9-11(13(3,4)20-12)14(19)7-5-6-10(8-14)15(16,17)18/h10-11,19H,5-9H2,1-4H3.
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 294.36 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 114622075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).