2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol

C13H22F3NO2 — CID 114339637

IUPAC2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1CCOC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)19-9-8-17-7-3-5-11(17)10-4-1-2-6-12(10)18/h10-12,18H,1-9H2
InChIKeyLWRNZPCBHQZDST-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.54
Rot. Bonds4

About 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339637) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339637
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1CCOC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)19-9-8-17-7-3-5-11(17)10-4-1-2-6-12(10)18/h10-12,18H,1-9H2
InChIKeyLWRNZPCBHQZDST-UHFFFAOYSA-N
XLogP2.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049565
1-Cyclohexyl-1-[methyl(1,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049570
2,2,2-Trifluoro-1-(2-morpholin-4-ylcyclohexyl)ethanol
CID 101501910
1-[2-(2-Hydroxycyclohexyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209223
1-Cyclohexyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 104752598
2-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]cyclohexan-1-ol
CID 107487143
2-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 107487234
2-[1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 113569259
1-Cyclohexyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]ethanol
CID 113797173
4-Ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol
CID 114271989
2-[1-[3-(2,2,2-Trifluoroethoxy)propyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339152
2-[1-[2-(Trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339297

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339637) is 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCN1CCOC(F)(F)F.
What is the InChIKey of 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is LWRNZPCBHQZDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)19-9-8-17-7-3-5-11(17)10-4-1-2-6-12(10)18/h10-12,18H,1-9H2.
What are the key properties of 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 281.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).