2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol

C13H24F3NO — CID 79855352

IUPAC2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)N(CC1CCC(C)(C)C1O)CC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-9(2)17(8-13(14,15)16)7-10-5-6-12(3,4)11(10)18/h9-11,18H,5-8H2,1-4H3
InChIKeyNKYLQERRXUEXRV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.06
Rot. Bonds4

About 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol

2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol (PubChem CID 79855352) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
PubChem CID79855352
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)N(CC1CCC(C)(C)C1O)CC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-9(2)17(8-13(14,15)16)7-10-5-6-12(3,4)11(10)18/h9-11,18H,5-8H2,1-4H3
InChIKeyNKYLQERRXUEXRV-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol (CID 79855352) is 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol is CC(C)N(CC1CCC(C)(C)C1O)CC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is NKYLQERRXUEXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9(2)17(8-13(14,15)16)7-10-5-6-12(3,4)11(10)18/h9-11,18H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol?
2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 79855352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).