[3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol

C10H18F3NO — CID 80699828

IUPAC[3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
SMILESCC1(C)CCC(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-8(2)3-4-9(5-8,7-15)14-6-10(11,12)13/h14-15H,3-7H2,1-2H3
InChIKeyATBQBUNDWPOESH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds3

About [3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol

[3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol (PubChem CID 80699828) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
PubChem CID80699828
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol
SMILESCC1(C)CCC(CO)(NCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-8(2)3-4-9(5-8,7-15)14-6-10(11,12)13/h14-15H,3-7H2,1-2H3
InChIKeyATBQBUNDWPOESH-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol 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 [3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
The IUPAC name of [3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol (CID 80699828) is [3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol.
What is the SMILES notation for [3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
The canonical SMILES for [3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol is CC1(C)CCC(CO)(NCC(F)(F)F)C1.
What is the InChIKey of [3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
The InChIKey is ATBQBUNDWPOESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(2)3-4-9(5-8,7-15)14-6-10(11,12)13/h14-15H,3-7H2,1-2H3.
What are the key properties of [3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol?
[3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol has a molecular weight of 225.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-(2,2,2-trifluoroethylamino)cyclopentyl]methanol is sourced from PubChem (CID 80699828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).