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

C9H16F2N2 — CID 126580777

IUPAC1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(CCC2CNC2)C1
InChIInChI=1S/C9H16F2N2/c10-9(11)2-4-13(7-9)3-1-8-5-12-6-8/h8,12H,1-7H2
InChIKeyYQMGONZOBAXPAR-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.94
Rot. Bonds3

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

1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine (PubChem CID 126580777) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine
PubChem CID126580777
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(CCC2CNC2)C1
InChIInChI=1S/C9H16F2N2/c10-9(11)2-4-13(7-9)3-1-8-5-12-6-8/h8,12H,1-7H2
InChIKeyYQMGONZOBAXPAR-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine?
The IUPAC name of 1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine (CID 126580777) is 1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine?
The canonical SMILES for 1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine is FC1(F)CCN(CCC2CNC2)C1.
What is the InChIKey of 1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine?
The InChIKey is YQMGONZOBAXPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c10-9(11)2-4-13(7-9)3-1-8-5-12-6-8/h8,12H,1-7H2.
What are the key properties of 1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine?
1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine has a molecular weight of 190.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)ethyl]-3,3-difluoropyrrolidine is sourced from PubChem (CID 126580777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).