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

C13H22F3NO — CID 114271989

IUPAC4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H22F3NO/c1-2-9-3-4-12(18)11(7-9)17-6-5-10(8-17)13(14,15)16/h9-12,18H,2-8H2,1H3
InChIKeyUOERYVOCABSMHD-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.81
Rot. Bonds2

About 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol

4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol (PubChem CID 114271989) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol
PubChem CID114271989
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H22F3NO/c1-2-9-3-4-12(18)11(7-9)17-6-5-10(8-17)13(14,15)16/h9-12,18H,2-8H2,1H3
InChIKeyUOERYVOCABSMHD-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[Ethyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 55105870
4-Methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61763986
4-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61764164
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-4-methylcyclohexan-1-ol
CID 61764186
4-Propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61764772
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexan-1-ol
CID 61764957
4-Ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61764968
4-Ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61765149
2-[Ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexan-1-ol
CID 61765151
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexan-1-ol
CID 61765153
4-Tert-butyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61765157
4-Tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61765342

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol (CID 114271989) is 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol is CCC1CCC(O)C(N2CCC(C(F)(F)F)C2)C1.
What is the InChIKey of 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol?
The InChIKey is UOERYVOCABSMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-2-9-3-4-12(18)11(7-9)17-6-5-10(8-17)13(14,15)16/h9-12,18H,2-8H2,1H3.
What are the key properties of 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol?
4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol has a molecular weight of 265.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 114271989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).