3,3-difluoro-1-methylazetidine

C4H7F2N — CID 59495756

IUPAC3,3-difluoro-1-methylazetidine
SMILESCN1CC(F)(F)C1
InChIInChI=1S/C4H7F2N/c1-7-2-4(5,6)3-7/h2-3H2,1H3
InChIKeyYASSUAIJFUESOY-UHFFFAOYSA-N
MW107.10 g/mol
LogP0.57
Rot. Bonds

About 3,3-difluoro-1-methylazetidine

3,3-difluoro-1-methylazetidine (PubChem CID 59495756) has the molecular formula C4H7F2N and a molecular weight of 107.10 g/mol. Its IUPAC name is 3,3-difluoro-1-methylazetidine.

Molecular Properties

Compound Name3,3-difluoro-1-methylazetidine
PubChem CID59495756
Molecular FormulaC4H7F2N
Molecular Weight107.10 g/mol
Exact Mass107.05
IUPAC Name3,3-difluoro-1-methylazetidine
SMILESCN1CC(F)(F)C1
InChIInChI=1S/C4H7F2N/c1-7-2-4(5,6)3-7/h2-3H2,1H3
InChIKeyYASSUAIJFUESOY-UHFFFAOYSA-N
XLogP0.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.10
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylazetidine?
The IUPAC name of 3,3-difluoro-1-methylazetidine (CID 59495756) is 3,3-difluoro-1-methylazetidine.
What is the SMILES notation for 3,3-difluoro-1-methylazetidine?
The canonical SMILES for 3,3-difluoro-1-methylazetidine is CN1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-methylazetidine?
The InChIKey is YASSUAIJFUESOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2N/c1-7-2-4(5,6)3-7/h2-3H2,1H3.
What are the key properties of 3,3-difluoro-1-methylazetidine?
3,3-difluoro-1-methylazetidine has a molecular weight of 107.10 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylazetidine is sourced from PubChem (CID 59495756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).