(3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone

C9H14FNOS — CID 130634407

IUPAC(3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)N2CC(F)C2)CCCS1
InChIInChI=1S/C9H14FNOS/c1-9(3-2-4-13-9)8(12)11-5-7(10)6-11/h7H,2-6H2,1H3
InChIKeyWMFXNQJQAJIHSX-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.45
Rot. Bonds1

About (3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone

(3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone (PubChem CID 130634407) has the molecular formula C9H14FNOS and a molecular weight of 203.28 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
PubChem CID130634407
Molecular FormulaC9H14FNOS
Molecular Weight203.28 g/mol
Exact Mass203.08
IUPAC Name(3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
SMILESCC1(C(=O)N2CC(F)C2)CCCS1
InChIInChI=1S/C9H14FNOS/c1-9(3-2-4-13-9)8(12)11-5-7(10)6-11/h7H,2-6H2,1H3
InChIKeyWMFXNQJQAJIHSX-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone (CID 130634407) is (3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone is CC1(C(=O)N2CC(F)C2)CCCS1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone?
The InChIKey is WMFXNQJQAJIHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNOS/c1-9(3-2-4-13-9)8(12)11-5-7(10)6-11/h7H,2-6H2,1H3.
What are the key properties of (3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone?
(3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone has a molecular weight of 203.28 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 130634407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).