1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol

C13H21F3O2 — CID 65162408

IUPAC1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(CCC2CCCO2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3O2/c14-13(15,16)10-3-1-6-12(17,9-10)7-5-11-4-2-8-18-11/h10-11,17H,1-9H2
InChIKeyCSXXDNLJAMNZHR-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.43
Rot. Bonds3

About 1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol

1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 65162408) has the molecular formula C13H21F3O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID65162408
Molecular FormulaC13H21F3O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(CCC2CCCO2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3O2/c14-13(15,16)10-3-1-6-12(17,9-10)7-5-11-4-2-8-18-11/h10-11,17H,1-9H2
InChIKeyCSXXDNLJAMNZHR-UHFFFAOYSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-methylbutan-2-yloxy)cyclohexyl]propan-2-ol
CID 57777049
2-[3-Butan-2-yloxy-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 57777052
1,1,1,3,3,3-Hexafluoro-2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-ol
CID 59678746
2-(3,3-Difluoro-7-oxabicyclo[2.2.1]heptan-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59678767
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-methylbutoxy)cyclohexyl]propan-2-ol
CID 59752406
2-[3-Butan-2-yloxy-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 59752408
5-Cyclohexyl-3,3-difluoro-2-(trifluoromethyl)oxolan-2-ol
CID 70948282
1,1,1-Trifluoro-2-[3-methoxy-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 88892526
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-propan-2-yloxycyclohexyl]propan-2-ol
CID 90334326
1,1,1-Trifluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-5-methoxycyclohexyl]propan-2-ol
CID 117851857
3-[2-(1,1-Difluoropentoxy)butan-2-yl]cyclohexan-1-ol
CID 141789932
2-[3-(Trifluoromethyl)cyclohexyl]oxolane
CID 154607706

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol (CID 65162408) is 1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol is OC1(CCC2CCCO2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is CSXXDNLJAMNZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O2/c14-13(15,16)10-3-1-6-12(17,9-10)7-5-11-4-2-8-18-11/h10-11,17H,1-9H2.
What are the key properties of 1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol?
1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 266.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 65162408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).