2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol

C13H22F3NO — CID 114339414

IUPAC2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1CCC(F)(F)F
InChIInChI=1S/C13H22F3NO/c14-13(15,16)7-9-17-8-3-5-11(17)10-4-1-2-6-12(10)18/h10-12,18H,1-9H2
InChIKeyUYDWEFVXLBHDRW-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.95
Rot. Bonds3

About 2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339414) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339414
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1CCC(F)(F)F
InChIInChI=1S/C13H22F3NO/c14-13(15,16)7-9-17-8-3-5-11(17)10-4-1-2-6-12(10)18/h10-12,18H,1-9H2
InChIKeyUYDWEFVXLBHDRW-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-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-[2-(2-Hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile
CID 114339493
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 55094483
4-Ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 55094669
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 55094670
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094671
4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 55094719
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62608867
4-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62608868
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609041
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609216
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609380
4-Ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609382

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339414) is 2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCN1CCC(F)(F)F.
What is the InChIKey of 2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is UYDWEFVXLBHDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)7-9-17-8-3-5-11(17)10-4-1-2-6-12(10)18/h10-12,18H,1-9H2.
What are the key properties of 2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 265.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).