3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine

C12H22F2N2 — CID 167292307

IUPAC3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine
SMILESCCC(C)(C)N1CC(N2CCC(F)(F)C2)C1
InChIInChI=1S/C12H22F2N2/c1-4-11(2,3)16-7-10(8-16)15-6-5-12(13,14)9-15/h10H,4-9H2,1-3H3
InChIKeyHMZYGMIQLXGVNO-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.20
Rot. Bonds3

About 3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine

3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine (PubChem CID 167292307) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine
PubChem CID167292307
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine
SMILESCCC(C)(C)N1CC(N2CCC(F)(F)C2)C1
InChIInChI=1S/C12H22F2N2/c1-4-11(2,3)16-7-10(8-16)15-6-5-12(13,14)9-15/h10H,4-9H2,1-3H3
InChIKeyHMZYGMIQLXGVNO-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.20
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-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine?
The IUPAC name of 3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine (CID 167292307) is 3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine is CCC(C)(C)N1CC(N2CCC(F)(F)C2)C1.
What is the InChIKey of 3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine?
The InChIKey is HMZYGMIQLXGVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-4-11(2,3)16-7-10(8-16)15-6-5-12(13,14)9-15/h10H,4-9H2,1-3H3.
What are the key properties of 3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine?
3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine has a molecular weight of 232.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[1-(2-methylbutan-2-yl)azetidin-3-yl]pyrrolidine is sourced from PubChem (CID 167292307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).