2,2-difluoroazetidine

C3H5F2N — CID 68750416

IUPAC2,2-difluoroazetidine
SMILESFC1(F)CCN1
InChIInChI=1S/C3H5F2N/c4-3(5)1-2-6-3/h6H,1-2H2
InChIKeyWROPAPHTEWTSOO-UHFFFAOYSA-N
MW93.08 g/mol
LogP0.57
Rot. Bonds

About 2,2-difluoroazetidine

2,2-difluoroazetidine (PubChem CID 68750416) has the molecular formula C3H5F2N and a molecular weight of 93.08 g/mol. Its IUPAC name is 2,2-difluoroazetidine.

Molecular Properties

Compound Name2,2-difluoroazetidine
PubChem CID68750416
Molecular FormulaC3H5F2N
Molecular Weight93.08 g/mol
Exact Mass93.04
IUPAC Name2,2-difluoroazetidine
SMILESFC1(F)CCN1
InChIInChI=1S/C3H5F2N/c4-3(5)1-2-6-3/h6H,1-2H2
InChIKeyWROPAPHTEWTSOO-UHFFFAOYSA-N
XLogP0.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.08
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroazetidine?
The IUPAC name of 2,2-difluoroazetidine (CID 68750416) is 2,2-difluoroazetidine.
What is the SMILES notation for 2,2-difluoroazetidine?
The canonical SMILES for 2,2-difluoroazetidine is FC1(F)CCN1.
What is the InChIKey of 2,2-difluoroazetidine?
The InChIKey is WROPAPHTEWTSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2N/c4-3(5)1-2-6-3/h6H,1-2H2.
What are the key properties of 2,2-difluoroazetidine?
2,2-difluoroazetidine has a molecular weight of 93.08 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroazetidine is sourced from PubChem (CID 68750416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).