3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine

C8H13F2NO — CID 129270064

IUPAC3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine
SMILESCC1CN(C2COC2)CC1(F)F
InChIInChI=1S/C8H13F2NO/c1-6-2-11(5-8(6,9)10)7-3-12-4-7/h6-7H,2-5H2,1H3
InChIKeyQMFNNXYWRAIPNC-UHFFFAOYSA-N
MW177.19 g/mol
LogP0.97
Rot. Bonds1

About 3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine

3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine (PubChem CID 129270064) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine
PubChem CID129270064
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine
SMILESCC1CN(C2COC2)CC1(F)F
InChIInChI=1S/C8H13F2NO/c1-6-2-11(5-8(6,9)10)7-3-12-4-7/h6-7H,2-5H2,1H3
InChIKeyQMFNNXYWRAIPNC-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine?
The IUPAC name of 3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine (CID 129270064) is 3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine is CC1CN(C2COC2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine?
The InChIKey is QMFNNXYWRAIPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-6-2-11(5-8(6,9)10)7-3-12-4-7/h6-7H,2-5H2,1H3.
What are the key properties of 3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine?
3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine has a molecular weight of 177.19 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-1-(oxetan-3-yl)pyrrolidine is sourced from PubChem (CID 129270064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).