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

C16H27F3O2 — CID 105132018

IUPAC(2,2,5,5-tetramethyloxolan-3-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCC1(C)CC(C(O)C2CCCCC2C(F)(F)F)C(C)(C)O1
InChIInChI=1S/C16H27F3O2/c1-14(2)9-12(15(3,4)21-14)13(20)10-7-5-6-8-11(10)16(17,18)19/h10-13,20H,5-9H2,1-4H3
InChIKeyVQKVYPPOZUZFCG-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.31
Rot. Bonds2

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

(2,2,5,5-tetramethyloxolan-3-yl)-[2-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105132018) 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)-[2-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(2,2,5,5-tetramethyloxolan-3-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105132018
Molecular FormulaC16H27F3O2
Molecular Weight308.38 g/mol
Exact Mass308.20
IUPAC Name(2,2,5,5-tetramethyloxolan-3-yl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCC1(C)CC(C(O)C2CCCCC2C(F)(F)F)C(C)(C)O1
InChIInChI=1S/C16H27F3O2/c1-14(2)9-12(15(3,4)21-14)13(20)10-7-5-6-8-11(10)16(17,18)19/h10-13,20H,5-9H2,1-4H3
InChIKeyVQKVYPPOZUZFCG-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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Related Compounds

2-[4-(2-Butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21020792
3-[2-(1,1-Difluoropentoxy)butan-2-yl]cyclohexan-1-ol
CID 141789932
1-Fluoro-1-[6-(1-fluoro-2-hydroxypropyl)-4,5-dimethyloxan-3-yl]propan-2-ol
CID 142330917
3-(5,5-Difluoro-2-propan-2-ylcyclohexyl)oxy-2-propan-2-ylcyclobutan-1-ol
CID 156357122
(2R,5R,8R)-1,1,1-trifluoro-2,5,8-trimethyl-7-propyldecane-2,4-diol
CID 163724748
[(3R,3aR,4R,5S,7aR)-6,6-difluoro-3,5-dimethyl-3,3a,4,5,7,7a-hexahydro-1H-2-benzofuran-4-yl]methanol
CID 174355088
1-(4-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 55095523
1-(Oxolan-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756509
1-(Oxolan-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757431
1-[2-(Oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 65162408
4-Methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol
CID 103028401
4-Methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentan-1-ol
CID 103028403

Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (2,2,5,5-tetramethyloxolan-3-yl)-[2-(trifluoromethyl)cyclohexyl]methanol (CID 105132018) is (2,2,5,5-tetramethyloxolan-3-yl)-[2-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (2,2,5,5-tetramethyloxolan-3-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (2,2,5,5-tetramethyloxolan-3-yl)-[2-(trifluoromethyl)cyclohexyl]methanol is CC1(C)CC(C(O)C2CCCCC2C(F)(F)F)C(C)(C)O1.
What is the InChIKey of (2,2,5,5-tetramethyloxolan-3-yl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is VQKVYPPOZUZFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3O2/c1-14(2)9-12(15(3,4)21-14)13(20)10-7-5-6-8-11(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)-[2-(trifluoromethyl)cyclohexyl]methanol?
(2,2,5,5-tetramethyloxolan-3-yl)-[2-(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)-[2-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105132018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).