1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid

C7H10F3NO2 — CID 67322346

IUPAC1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid
SMILESCC(N1CC(C(=O)O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-4(7(8,9)10)11-2-5(3-11)6(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyGURKRUPOJHRHTD-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.95
Rot. Bonds2

About 1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid

1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid (PubChem CID 67322346) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid
PubChem CID67322346
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid
SMILESCC(N1CC(C(=O)O)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-4(7(8,9)10)11-2-5(3-11)6(12)13/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyGURKRUPOJHRHTD-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1,1,1-trifluoropropan-2-yl)azetidine-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

1-(2,2,2-Trifluoroethyl)azetidine-3-carboxylic acid
CID 64260693
Lithium 1-(2,2-difluoropropyl)azetidine-3-carboxylate
CID 177800022
2-[(Diethylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 13637580
1-(2,2-Difluoroethyl)azetidine-3-carboxylic acid
CID 64258950
1-(3,3,3-Trifluoropropyl)azetidine-3-carboxylic acid
CID 64566941
3-Fluoro-1-methylazetidine-3-carboxylic acid
CID 67111588
3-Azetidinecarboxylic acid, 1-(2,2,2-trifluoro-1-methylethyl)-, methyl ester
CID 67321112
1-(1,1,1-Trifluoro-2-methylpropan-2-yl)azetidine-3-carboxylic acid
CID 67321115
1-(2-Fluoroethyl)azetidine-3-carboxylic acid
CID 80695260
2-[(Dimethylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 80996003
1-(2,2-Difluoroethyl)-3-methylazetidine-3-carboxylic acid
CID 130988427
3-Fluoro-1-propan-2-ylazetidine-3-carboxylic acid
CID 139341801

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid (CID 67322346) is 1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid is CC(N1CC(C(=O)O)C1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid?
The InChIKey is GURKRUPOJHRHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-4(7(8,9)10)11-2-5(3-11)6(12)13/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid?
1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid has a molecular weight of 197.16 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoropropan-2-yl)azetidine-3-carboxylic acid is sourced from PubChem (CID 67322346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).