3,3-difluoro-1-(oxetan-3-yl)pyrrolidine

C7H11F2NO — CID 118992152

IUPAC3,3-difluoro-1-(oxetan-3-yl)pyrrolidine
SMILESFC1(F)CCN(C2COC2)C1
InChIInChI=1S/C7H11F2NO/c8-7(9)1-2-10(5-7)6-3-11-4-6/h6H,1-5H2
InChIKeyFOEAFMHUCIKGME-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.73
Rot. Bonds1

About 3,3-difluoro-1-(oxetan-3-yl)pyrrolidine

3,3-difluoro-1-(oxetan-3-yl)pyrrolidine (PubChem CID 118992152) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 3,3-difluoro-1-(oxetan-3-yl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(oxetan-3-yl)pyrrolidine
PubChem CID118992152
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name3,3-difluoro-1-(oxetan-3-yl)pyrrolidine
SMILESFC1(F)CCN(C2COC2)C1
InChIInChI=1S/C7H11F2NO/c8-7(9)1-2-10(5-7)6-3-11-4-6/h6H,1-5H2
InChIKeyFOEAFMHUCIKGME-UHFFFAOYSA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(oxetan-3-yl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(oxetan-3-yl)pyrrolidine (CID 118992152) is 3,3-difluoro-1-(oxetan-3-yl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(oxetan-3-yl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(oxetan-3-yl)pyrrolidine is FC1(F)CCN(C2COC2)C1.
What is the InChIKey of 3,3-difluoro-1-(oxetan-3-yl)pyrrolidine?
The InChIKey is FOEAFMHUCIKGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9)1-2-10(5-7)6-3-11-4-6/h6H,1-5H2.
What are the key properties of 3,3-difluoro-1-(oxetan-3-yl)pyrrolidine?
3,3-difluoro-1-(oxetan-3-yl)pyrrolidine has a molecular weight of 163.17 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(oxetan-3-yl)pyrrolidine is sourced from PubChem (CID 118992152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).