(3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine

C9H16F2N2 — CID 126580701

IUPAC(3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
SMILESFC1(F)CN(CC[C@@H]2CCNC2)C1
InChIInChI=1S/C9H16F2N2/c10-9(11)6-13(7-9)4-2-8-1-3-12-5-8/h8,12H,1-7H2/t8-/m0/s1
InChIKeyPMPPOPGPYJAKPT-QMMMGPOBSA-N
MW190.24 g/mol
LogP0.94
Rot. Bonds3

About (3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine

(3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine (PubChem CID 126580701) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
PubChem CID126580701
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine
SMILESFC1(F)CN(CC[C@@H]2CCNC2)C1
InChIInChI=1S/C9H16F2N2/c10-9(11)6-13(7-9)4-2-8-1-3-12-5-8/h8,12H,1-7H2/t8-/m0/s1
InChIKeyPMPPOPGPYJAKPT-QMMMGPOBSA-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 (3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine?
The IUPAC name of (3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine (CID 126580701) is (3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine is FC1(F)CN(CC[C@@H]2CCNC2)C1.
What is the InChIKey of (3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine?
The InChIKey is PMPPOPGPYJAKPT-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16F2N2/c10-9(11)6-13(7-9)4-2-8-1-3-12-5-8/h8,12H,1-7H2/t8-/m0/s1.
What are the key properties of (3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine?
(3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine 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 (3S)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine is sourced from PubChem (CID 126580701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).