(2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one

C9H17FN2O — CID 131020454

IUPAC(2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CC(C)(F)C1)N(C)C
InChIInChI=1S/C9H17FN2O/c1-7(11(3)4)8(13)12-5-9(2,10)6-12/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyGDHFLMMZLIRRBM-ZETCQYMHSA-N
MW188.25 g/mol
LogP0.51
Rot. Bonds2

About (2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one

(2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one (PubChem CID 131020454) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one
PubChem CID131020454
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name(2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CC(C)(F)C1)N(C)C
InChIInChI=1S/C9H17FN2O/c1-7(11(3)4)8(13)12-5-9(2,10)6-12/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyGDHFLMMZLIRRBM-ZETCQYMHSA-N
XLogP0.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one (CID 131020454) is (2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one is C[C@@H](C(=O)N1CC(C)(F)C1)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one?
The InChIKey is GDHFLMMZLIRRBM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-7(11(3)4)8(13)12-5-9(2,10)6-12/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one?
(2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one has a molecular weight of 188.25 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-1-(3-fluoro-3-methylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 131020454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).