1-ethyl-3,3-difluoroazetidine

C5H9F2N — CID 59626753

IUPAC1-ethyl-3,3-difluoroazetidine
SMILESCCN1CC(F)(F)C1
InChIInChI=1S/C5H9F2N/c1-2-8-3-5(6,7)4-8/h2-4H2,1H3
InChIKeyQWNYXDCVDPAVOO-UHFFFAOYSA-N
MW121.13 g/mol
LogP0.96
Rot. Bonds1

About 1-ethyl-3,3-difluoroazetidine

1-ethyl-3,3-difluoroazetidine (PubChem CID 59626753) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 1-ethyl-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-ethyl-3,3-difluoroazetidine
PubChem CID59626753
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name1-ethyl-3,3-difluoroazetidine
SMILESCCN1CC(F)(F)C1
InChIInChI=1S/C5H9F2N/c1-2-8-3-5(6,7)4-8/h2-4H2,1H3
InChIKeyQWNYXDCVDPAVOO-UHFFFAOYSA-N
XLogP0.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-difluoroazetidine?
The IUPAC name of 1-ethyl-3,3-difluoroazetidine (CID 59626753) is 1-ethyl-3,3-difluoroazetidine.
What is the SMILES notation for 1-ethyl-3,3-difluoroazetidine?
The canonical SMILES for 1-ethyl-3,3-difluoroazetidine is CCN1CC(F)(F)C1.
What is the InChIKey of 1-ethyl-3,3-difluoroazetidine?
The InChIKey is QWNYXDCVDPAVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-2-8-3-5(6,7)4-8/h2-4H2,1H3.
What are the key properties of 1-ethyl-3,3-difluoroazetidine?
1-ethyl-3,3-difluoroazetidine has a molecular weight of 121.13 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-difluoroazetidine is sourced from PubChem (CID 59626753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).