1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid

C18H16F3NO2 — CID 59451824

IUPAC1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)16-3-1-2-14(8-16)13-6-4-12(5-7-13)9-22-10-15(11-22)17(23)24/h1-8,15H,9-11H2,(H,23,24)
InChIKeyDWVHOLDUKGHWIL-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.89
Rot. Bonds4

About 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid

1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid (PubChem CID 59451824) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid
PubChem CID59451824
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)16-3-1-2-14(8-16)13-6-4-12(5-7-13)9-22-10-15(11-22)17(23)24/h1-8,15H,9-11H2,(H,23,24)
InChIKeyDWVHOLDUKGHWIL-UHFFFAOYSA-N
XLogP3.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid (CID 59451824) is 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid is O=C(O)C1CN(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C1.
What is the InChIKey of 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid?
The InChIKey is DWVHOLDUKGHWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)16-3-1-2-14(8-16)13-6-4-12(5-7-13)9-22-10-15(11-22)17(23)24/h1-8,15H,9-11H2,(H,23,24).
What are the key properties of 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid?
1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid has a molecular weight of 335.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 59451824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).