1-deuterio-3-(1,1-difluoroethyl)azetidine

C5H9F2N — CID 175945377

IUPAC1-deuterio-3-(1,1-difluoroethyl)azetidine
SMILES[2H]N1CC(C(C)(F)F)C1
InChIInChI=1S/C5H9F2N/c1-5(6,7)4-2-8-3-4/h4,8H,2-3H2,1H3/i/hD
InChIKeyZBGCOQFHTOFOFO-DYCDLGHISA-N
MW122.14 g/mol
LogP0.86
Rot. Bonds1

About 1-deuterio-3-(1,1-difluoroethyl)azetidine

1-deuterio-3-(1,1-difluoroethyl)azetidine (PubChem CID 175945377) has the molecular formula C5H9F2N and a molecular weight of 122.14 g/mol. Its IUPAC name is 1-deuterio-3-(1,1-difluoroethyl)azetidine.

Molecular Properties

Compound Name1-deuterio-3-(1,1-difluoroethyl)azetidine
PubChem CID175945377
Molecular FormulaC5H9F2N
Molecular Weight122.14 g/mol
Exact Mass122.08
IUPAC Name1-deuterio-3-(1,1-difluoroethyl)azetidine
SMILES[2H]N1CC(C(C)(F)F)C1
InChIInChI=1S/C5H9F2N/c1-5(6,7)4-2-8-3-4/h4,8H,2-3H2,1H3/i/hD
InChIKeyZBGCOQFHTOFOFO-DYCDLGHISA-N
XLogP0.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-3-(1,1-difluoroethyl)azetidine?
The IUPAC name of 1-deuterio-3-(1,1-difluoroethyl)azetidine (CID 175945377) is 1-deuterio-3-(1,1-difluoroethyl)azetidine.
What is the SMILES notation for 1-deuterio-3-(1,1-difluoroethyl)azetidine?
The canonical SMILES for 1-deuterio-3-(1,1-difluoroethyl)azetidine is [2H]N1CC(C(C)(F)F)C1.
What is the InChIKey of 1-deuterio-3-(1,1-difluoroethyl)azetidine?
The InChIKey is ZBGCOQFHTOFOFO-DYCDLGHISA-N. The full InChI is InChI=1S/C5H9F2N/c1-5(6,7)4-2-8-3-4/h4,8H,2-3H2,1H3/i/hD.
What are the key properties of 1-deuterio-3-(1,1-difluoroethyl)azetidine?
1-deuterio-3-(1,1-difluoroethyl)azetidine has a molecular weight of 122.14 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-3-(1,1-difluoroethyl)azetidine is sourced from PubChem (CID 175945377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).