3-(1,1-difluoroethyl)azetidine-3-carboxylic acid

C6H9F2NO2 — CID 105432551

IUPAC3-(1,1-difluoroethyl)azetidine-3-carboxylic acid
SMILESCC(F)(F)C1(C(=O)O)CNC1
InChIInChI=1S/C6H9F2NO2/c1-5(7,8)6(4(10)11)2-9-3-6/h9H,2-3H2,1H3,(H,10,11)
InChIKeyFNDGUBJKWXZVRX-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.32
Rot. Bonds2

About 3-(1,1-difluoroethyl)azetidine-3-carboxylic acid

3-(1,1-difluoroethyl)azetidine-3-carboxylic acid (PubChem CID 105432551) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)azetidine-3-carboxylic acid
PubChem CID105432551
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name3-(1,1-difluoroethyl)azetidine-3-carboxylic acid
SMILESCC(F)(F)C1(C(=O)O)CNC1
InChIInChI=1S/C6H9F2NO2/c1-5(7,8)6(4(10)11)2-9-3-6/h9H,2-3H2,1H3,(H,10,11)
InChIKeyFNDGUBJKWXZVRX-UHFFFAOYSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)azetidine-3-carboxylic acid
CID 105433991
4,4-Difluoro-2-(methylaminomethyl)butanoic acid
CID 162686875
4,4,4-Trifluoro-2-(methylaminomethyl)butanoic acid
CID 162686917
3-(1-Fluoroethyl)azetidine-3-carboxylic acid
CID 105429000
3-(Difluoromethyl)azetidine-3-carboxylic acid
CID 105429493
3-(2-Fluoropropan-2-yl)azetidine-3-carboxylic acid
CID 105431553
2-(Aminomethyl)-3,3-difluoro-2-methylbutanoic acid
CID 105433279
2-(Aminomethyl)-2-(difluoromethyl)butanoic acid
CID 105433280
2-(Aminomethyl)-2-(trifluoromethyl)butanoic acid
CID 105441446
2-(Aminomethyl)-4,4-difluoro-2-methylbutanoic acid
CID 106487126
2-(Aminomethyl)-4,4,4-trifluoro-2-methylbutanoic acid
CID 106487178
3-(2,2-Difluoroethyl)azetidine-3-carboxylic acid
CID 115012999

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)azetidine-3-carboxylic acid?
The IUPAC name of 3-(1,1-difluoroethyl)azetidine-3-carboxylic acid (CID 105432551) is 3-(1,1-difluoroethyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(1,1-difluoroethyl)azetidine-3-carboxylic acid?
The canonical SMILES for 3-(1,1-difluoroethyl)azetidine-3-carboxylic acid is CC(F)(F)C1(C(=O)O)CNC1.
What is the InChIKey of 3-(1,1-difluoroethyl)azetidine-3-carboxylic acid?
The InChIKey is FNDGUBJKWXZVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-5(7,8)6(4(10)11)2-9-3-6/h9H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-(1,1-difluoroethyl)azetidine-3-carboxylic acid?
3-(1,1-difluoroethyl)azetidine-3-carboxylic acid has a molecular weight of 165.14 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 105432551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).