3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid

C8H12F2N2O2 — CID 141284358

IUPAC3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(N2CCC(F)(F)C2)C1
InChIInChI=1S/C8H12F2N2O2/c9-8(10)1-2-11(5-8)6-3-12(4-6)7(13)14/h6H,1-5H2,(H,13,14)
InChIKeyLFJMHABUODYCLT-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.69
Rot. Bonds1

About 3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid

3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid (PubChem CID 141284358) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid
PubChem CID141284358
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(N2CCC(F)(F)C2)C1
InChIInChI=1S/C8H12F2N2O2/c9-8(10)1-2-11(5-8)6-3-12(4-6)7(13)14/h6H,1-5H2,(H,13,14)
InChIKeyLFJMHABUODYCLT-UHFFFAOYSA-N
XLogP0.69
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4,4-difluoropiperidin-1-yl)azetidine-1-carboxylic acid
CID 141284351
4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid
CID 126519345
1-cyclohexyl-3,3-difluoropyrrolidine
CID 117007575
bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride
CID 134128350
3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 156546245
3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine
CID 167292307
4-(3,3-difluoropyrrolidin-1-yl)piperidine
CID 53488020
3-(3,3-difluoropyrrolidin-1-yl)thiolane 1,1-dioxide
CID 117007587
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
CID 167291973
ethyl 4-[4-(3,3-difluoropyrrolidin-1-yl)piperidin-1-yl]azepane-1-carboxylate
CID 123970015
fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate
CID 177326834
3-(4-ethynylpiperidin-1-yl)azetidine-1-carboxylic acid
CID 155212242

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid (CID 141284358) is 3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid is O=C(O)N1CC(N2CCC(F)(F)C2)C1.
What is the InChIKey of 3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid?
The InChIKey is LFJMHABUODYCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c9-8(10)1-2-11(5-8)6-3-12(4-6)7(13)14/h6H,1-5H2,(H,13,14).
What are the key properties of 3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid?
3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid has a molecular weight of 206.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid is sourced from PubChem (CID 141284358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).