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

C12H22F2N2 — CID 166786710

IUPAC1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine
SMILESCC(N1CCC(F)(F)C1)C(C)(C)N1CCC1
InChIInChI=1S/C12H22F2N2/c1-10(11(2,3)16-6-4-7-16)15-8-5-12(13,14)9-15/h10H,4-9H2,1-3H3
InChIKeyLQVMIVGNWPODGA-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.20
Rot. Bonds3

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

1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine (PubChem CID 166786710) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine
PubChem CID166786710
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine
SMILESCC(N1CCC(F)(F)C1)C(C)(C)N1CCC1
InChIInChI=1S/C12H22F2N2/c1-10(11(2,3)16-6-4-7-16)15-8-5-12(13,14)9-15/h10H,4-9H2,1-3H3
InChIKeyLQVMIVGNWPODGA-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 1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine?
The IUPAC name of 1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine (CID 166786710) is 1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine?
The canonical SMILES for 1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine is CC(N1CCC(F)(F)C1)C(C)(C)N1CCC1.
What is the InChIKey of 1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine?
The InChIKey is LQVMIVGNWPODGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-10(11(2,3)16-6-4-7-16)15-8-5-12(13,14)9-15/h10H,4-9H2,1-3H3.
What are the key properties of 1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine?
1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine 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 1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine is sourced from PubChem (CID 166786710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).