2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol

C11H20F3NO — CID 62609555

IUPAC2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
SMILESCN(CC1CCCCCC1O)CC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-15(8-11(12,13)14)7-9-5-3-2-4-6-10(9)16/h9-10,16H,2-8H2,1H3
InChIKeyPIWFUJSPPCLYRB-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.42
Rot. Bonds3

About 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol

2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol (PubChem CID 62609555) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
PubChem CID62609555
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
SMILESCN(CC1CCCCCC1O)CC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-15(8-11(12,13)14)7-9-5-3-2-4-6-10(9)16/h9-10,16H,2-8H2,1H3
InChIKeyPIWFUJSPPCLYRB-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-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-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol (CID 62609555) is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol is CN(CC1CCCCCC1O)CC(F)(F)F.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is PIWFUJSPPCLYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-15(8-11(12,13)14)7-9-5-3-2-4-6-10(9)16/h9-10,16H,2-8H2,1H3.
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol?
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 62609555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).