(3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine

C10H18F2N2 — CID 156546461

IUPAC(3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@H](N2CC(F)(F)C2)C1
InChIInChI=1S/C10H18F2N2/c1-8(2)13-4-3-9(5-13)14-6-10(11,12)7-14/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyYYHDATVLNKYTHC-VIFPVBQESA-N
MW204.26 g/mol
LogP1.42
Rot. Bonds2

About (3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine

(3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine (PubChem CID 156546461) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is (3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine
PubChem CID156546461
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name(3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@H](N2CC(F)(F)C2)C1
InChIInChI=1S/C10H18F2N2/c1-8(2)13-4-3-9(5-13)14-6-10(11,12)7-14/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyYYHDATVLNKYTHC-VIFPVBQESA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine?
The IUPAC name of (3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine (CID 156546461) is (3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for (3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine is CC(C)N1CC[C@H](N2CC(F)(F)C2)C1.
What is the InChIKey of (3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine?
The InChIKey is YYHDATVLNKYTHC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18F2N2/c1-8(2)13-4-3-9(5-13)14-6-10(11,12)7-14/h8-9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine?
(3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine has a molecular weight of 204.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 156546461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).