3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol

C14H23F3O2 — CID 105104947

IUPAC3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESOC(CCC1CCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3O2/c15-14(16,17)12-6-2-1-5-11(12)13(18)8-7-10-4-3-9-19-10/h10-13,18H,1-9H2
InChIKeyQISUDWWUAAWGBV-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.68
Rot. Bonds4

About 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol

3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol (PubChem CID 105104947) has the molecular formula C14H23F3O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol
PubChem CID105104947
Molecular FormulaC14H23F3O2
Molecular Weight280.33 g/mol
Exact Mass280.17
IUPAC Name3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESOC(CCC1CCCO1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H23F3O2/c15-14(16,17)12-6-2-1-5-11(12)13(18)8-7-10-4-3-9-19-10/h10-13,18H,1-9H2
InChIKeyQISUDWWUAAWGBV-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol with MolForge

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Related Compounds

3-(5,6-Difluoro-3,4,6-trimethyloxan-2-yl)propan-1-ol
CID 68112163
5-Cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolan-2-ol
CID 70948282
3-[2-(1,1-Difluoropentoxy)butan-2-yl]cyclohexan-1-ol
CID 141789932
cyclohexyl-[(3R)-3-(trifluoromethyl)oxan-4-yl]methanol
CID 173123240
[(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
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-ol
CID 61748392
4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol
CID 61749599
4-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol
CID 61751131
4-Propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol
CID 61751148
4-Propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-ol
CID 62738840
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-ol
CID 64516522

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol?
The IUPAC name of 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol (CID 105104947) is 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol.
What is the SMILES notation for 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol?
The canonical SMILES for 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol is OC(CCC1CCCO1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol?
The InChIKey is QISUDWWUAAWGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O2/c15-14(16,17)12-6-2-1-5-11(12)13(18)8-7-10-4-3-9-19-10/h10-13,18H,1-9H2.
What are the key properties of 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol?
3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]propan-1-ol is sourced from PubChem (CID 105104947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).