(2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol

C16H27F3O2 — CID 105132103

IUPAC(2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCC1(C)CC(C(O)C2CCC(C(F)(F)F)CC2)C(C)(C)O1
InChIInChI=1S/C16H27F3O2/c1-14(2)9-12(15(3,4)21-14)13(20)10-5-7-11(8-6-10)16(17,18)19/h10-13,20H,5-9H2,1-4H3
InChIKeyHACDLFFSYRYSMX-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.31
Rot. Bonds2

About (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol

(2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105132103) has the molecular formula C16H27F3O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105132103
Molecular FormulaC16H27F3O2
Molecular Weight308.38 g/mol
Exact Mass308.20
IUPAC Name(2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCC1(C)CC(C(O)C2CCC(C(F)(F)F)CC2)C(C)(C)O1
InChIInChI=1S/C16H27F3O2/c1-14(2)9-12(15(3,4)21-14)13(20)10-5-7-11(8-6-10)16(17,18)19/h10-13,20H,5-9H2,1-4H3
InChIKeyHACDLFFSYRYSMX-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 105132103) is (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is CC1(C)CC(C(O)C2CCC(C(F)(F)F)CC2)C(C)(C)O1.
What is the InChIKey of (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is HACDLFFSYRYSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3O2/c1-14(2)9-12(15(3,4)21-14)13(20)10-5-7-11(8-6-10)16(17,18)19/h10-13,20H,5-9H2,1-4H3.
What are the key properties of (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 308.38 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5-tetramethyloxolan-3-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105132103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).