3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid

C11H18F3NO3 — CID 55055360

IUPAC3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)CC1(C(=O)O)CCOC1
InChIInChI=1S/C11H18F3NO3/c1-8(2)15(6-11(12,13)14)5-10(9(16)17)3-4-18-7-10/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyROWAXJOBTCDYHF-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.75
Rot. Bonds5

About 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid

3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid (PubChem CID 55055360) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
PubChem CID55055360
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)CC1(C(=O)O)CCOC1
InChIInChI=1S/C11H18F3NO3/c1-8(2)15(6-11(12,13)14)5-10(9(16)17)3-4-18-7-10/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyROWAXJOBTCDYHF-UHFFFAOYSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-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

Related Compounds

3-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62270137
3-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62271590
3-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62271963
3-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62272148
3-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid
CID 62967578
3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidine-3-carboxylic acid
CID 63147746
1-(4-Methoxybutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65065462
1-(3-Ethoxypropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65180543
3-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]oxolane-3-carboxylic acid
CID 65530494
3-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]oxolane-3-carboxylic acid
CID 65531849
3-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]oxolane-3-carboxylic acid
CID 65532814
4-[2,2-Difluoroethyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235189

Frequently Asked Questions

What is the IUPAC name of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid (CID 55055360) is 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid is CC(C)N(CC(F)(F)F)CC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The InChIKey is ROWAXJOBTCDYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-8(2)15(6-11(12,13)14)5-10(9(16)17)3-4-18-7-10/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 55055360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).