(3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid

C11H17F5N2O2 — CID 126573373

IUPAC(3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid
SMILESFC1(F)CN(CC[C@H]2CCNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16F2N2.C2HF3O2/c10-9(11)6-13(7-9)4-2-8-1-3-12-5-8;3-2(4,5)1(6)7/h8,12H,1-7H2;(H,6,7)/t8-;/m1./s1
InChIKeyUTJDRIINRPCEIS-DDWIOCJRSA-N
MW304.26 g/mol
LogP1.57
Rot. Bonds3

About (3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid

(3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid (PubChem CID 126573373) has the molecular formula C11H17F5N2O2 and a molecular weight of 304.26 g/mol. Its IUPAC name is (3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid
PubChem CID126573373
Molecular FormulaC11H17F5N2O2
Molecular Weight304.26 g/mol
Exact Mass304.12
IUPAC Name(3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid
SMILESFC1(F)CN(CC[C@H]2CCNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16F2N2.C2HF3O2/c10-9(11)6-13(7-9)4-2-8-1-3-12-5-8;3-2(4,5)1(6)7/h8,12H,1-7H2;(H,6,7)/t8-;/m1./s1
InChIKeyUTJDRIINRPCEIS-DDWIOCJRSA-N
XLogP1.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid (CID 126573373) is (3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid is FC1(F)CN(CC[C@H]2CCNC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid?
The InChIKey is UTJDRIINRPCEIS-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H16F2N2.C2HF3O2/c10-9(11)6-13(7-9)4-2-8-1-3-12-5-8;3-2(4,5)1(6)7/h8,12H,1-7H2;(H,6,7)/t8-;/m1./s1.
What are the key properties of (3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid?
(3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid has a molecular weight of 304.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3,3-difluoroazetidin-1-yl)ethyl]pyrrolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126573373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).