2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid

C11H18F3NO2 — CID 63068982

IUPAC2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C1CCCC1C(=O)O
InChIInChI=1S/C11H18F3NO2/c1-7(2)15(6-11(12,13)14)9-5-3-4-8(9)10(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyKKMRHBPXUBZSDZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.51
Rot. Bonds4

About 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid

2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 63068982) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid
PubChem CID63068982
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C1CCCC1C(=O)O
InChIInChI=1S/C11H18F3NO2/c1-7(2)15(6-11(12,13)14)9-5-3-4-8(9)10(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyKKMRHBPXUBZSDZ-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid 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-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid (CID 63068982) is 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid is CC(C)N(CC(F)(F)F)C1CCCC1C(=O)O.
What is the InChIKey of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is KKMRHBPXUBZSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-7(2)15(6-11(12,13)14)9-5-3-4-8(9)10(16)17/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid?
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63068982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).