3-(2-Fluoroethoxy)azetidine-1-carboxylic acid

C6H10FNO3 — CID 142766696

IUPAC3-(2-fluoroethoxy)azetidine-1-carboxylic acid
SMILESC1C(CN1C(=O)O)OCCF
InChIInChI=1S/C6H10FNO3/c7-1-2-11-5-3-8(4-5)6(9)10/h5H,1-4H2,(H,9,10)
InChIKeyRRYZUEOXIZDWBU-UHFFFAOYSA-N
MW163.15 g/mol
LogP-0.20
Rot. Bonds3

About 3-(2-Fluoroethoxy)azetidine-1-carboxylic acid

3-(2-Fluoroethoxy)azetidine-1-carboxylic acid (PubChem CID 142766696) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-Fluoroethoxy)azetidine-1-carboxylic acid
PubChem CID142766696
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name3-(2-fluoroethoxy)azetidine-1-carboxylic acid
SMILESC1C(CN1C(=O)O)OCCF
InChIInChI=1S/C6H10FNO3/c7-1-2-11-5-3-8(4-5)6(9)10/h5H,1-4H2,(H,9,10)
InChIKeyRRYZUEOXIZDWBU-UHFFFAOYSA-N
XLogP-0.20
TPSA49.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity147

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-hydroxyazetidine-1-carboxylate
CID 560293
3-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid
CID 87462257
3-(2,2,2-Trifluoroethoxy)azetidine-1-carboxylic acid
CID 89407431
3-(2,2-Difluoroethoxy)azetidine-1-carboxylic acid
CID 118510254
Propan-2-yl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate
CID 123161717
3-(Trifluoromethoxy)azetidine-1-carboxylic acid
CID 146453205
3-(Difluoromethoxy)azetidine-1-carboxylic acid
CID 154490832
3-(Difluoromethoxy)azetidine-1-carboxylate
CID 154490831
Fluoro 3-hydroxyazetidine-1-carboxylate
CID 156858449
Sodium;hydride;2-methylpropane;3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylic acid
CID 158091035
3-Methoxyazetidine-1-carboxylic acid
CID 22484227
3-Acetyloxyazetidine-1-carboxylic acid
CID 66685797

Frequently Asked Questions

What is the IUPAC name of 3-(2-Fluoroethoxy)azetidine-1-carboxylic acid?
The IUPAC name of 3-(2-Fluoroethoxy)azetidine-1-carboxylic acid (CID 142766696) is 3-(2-fluoroethoxy)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-Fluoroethoxy)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(2-Fluoroethoxy)azetidine-1-carboxylic acid is C1C(CN1C(=O)O)OCCF.
What is the InChIKey of 3-(2-Fluoroethoxy)azetidine-1-carboxylic acid?
The InChIKey is RRYZUEOXIZDWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO3/c7-1-2-11-5-3-8(4-5)6(9)10/h5H,1-4H2,(H,9,10).
What are the key properties of 3-(2-Fluoroethoxy)azetidine-1-carboxylic acid?
3-(2-Fluoroethoxy)azetidine-1-carboxylic acid has a molecular weight of 163.15 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-Fluoroethoxy)azetidine-1-carboxylic acid is sourced from PubChem (CID 142766696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).