3-(difluoromethoxy)azetidine-1-carboxylate

C5H6F2NO3- — CID 154490831

IUPAC3-(difluoromethoxy)azetidine-1-carboxylate
SMILESO=C([O-])N1CC(OC(F)F)C1
InChIInChI=1S/C5H7F2NO3/c6-4(7)11-3-1-8(2-3)5(9)10/h3-4H,1-2H2,(H,9,10)/p-1
InChIKeySFKDURIDYUMJMI-UHFFFAOYSA-M
MW166.10 g/mol
LogP-0.75
Rot. Bonds2

About 3-(difluoromethoxy)azetidine-1-carboxylate

3-(difluoromethoxy)azetidine-1-carboxylate (PubChem CID 154490831) has the molecular formula C5H6F2NO3- and a molecular weight of 166.10 g/mol. Its IUPAC name is 3-(difluoromethoxy)azetidine-1-carboxylate.

Molecular Properties

Compound Name3-(difluoromethoxy)azetidine-1-carboxylate
PubChem CID154490831
Molecular FormulaC5H6F2NO3-
Molecular Weight166.10 g/mol
Exact Mass166.03
IUPAC Name3-(difluoromethoxy)azetidine-1-carboxylate
SMILESO=C([O-])N1CC(OC(F)F)C1
InChIInChI=1S/C5H7F2NO3/c6-4(7)11-3-1-8(2-3)5(9)10/h3-4H,1-2H2,(H,9,10)/p-1
InChIKeySFKDURIDYUMJMI-UHFFFAOYSA-M
XLogP-0.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1,1,1,3,3,3-Hexafluoropropan-2-yl azetidine-1-carboxylate
CID 89480687
Tert-butyl 3-(difluoromethoxy)azetidine-1-carboxylate
CID 90288988
3-(2,2-Difluoroethoxy)azetidine-1-carboxylic acid
CID 118510254
3-(Difluoromethoxy)azetidine-1-carbonyl iodide
CID 122485646
Propan-2-yl 3-(2,2,2-trifluoroethoxy)azetidine-1-carboxylate
CID 123161717
3-(Difluoromethoxy)azetidine-1-carbaldehyde
CID 130917133
Propan-2-yl 3,3-difluoroazetidine-1-carboxylate
CID 138551996
3-(2-Fluoroethoxy)azetidine-1-carboxylic acid
CID 142766696
3-(Trifluoromethoxy)azetidine-1-carboxylic acid
CID 146453205
3-(Difluoromethoxy)azetidine-1-carboxylic acid
CID 154490832

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)azetidine-1-carboxylate?
The IUPAC name of 3-(difluoromethoxy)azetidine-1-carboxylate (CID 154490831) is 3-(difluoromethoxy)azetidine-1-carboxylate.
What is the SMILES notation for 3-(difluoromethoxy)azetidine-1-carboxylate?
The canonical SMILES for 3-(difluoromethoxy)azetidine-1-carboxylate is O=C([O-])N1CC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)azetidine-1-carboxylate?
The InChIKey is SFKDURIDYUMJMI-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7F2NO3/c6-4(7)11-3-1-8(2-3)5(9)10/h3-4H,1-2H2,(H,9,10)/p-1.
What are the key properties of 3-(difluoromethoxy)azetidine-1-carboxylate?
3-(difluoromethoxy)azetidine-1-carboxylate has a molecular weight of 166.10 g/mol, XLogP of -0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)azetidine-1-carboxylate is sourced from PubChem (CID 154490831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).