(2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one

C8H14FNO2 — CID 130702357

IUPAC(2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)[C@H](O)C(=O)N1CC(F)C1
InChIInChI=1S/C8H14FNO2/c1-5(2)7(11)8(12)10-3-6(9)4-10/h5-7,11H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyVOAHLEIXMYWPTM-ZETCQYMHSA-N
MW175.20 g/mol
LogP0.18
Rot. Bonds2

About (2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one

(2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one (PubChem CID 130702357) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is (2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one
PubChem CID130702357
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name(2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one
SMILESCC(C)[C@H](O)C(=O)N1CC(F)C1
InChIInChI=1S/C8H14FNO2/c1-5(2)7(11)8(12)10-3-6(9)4-10/h5-7,11H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyVOAHLEIXMYWPTM-ZETCQYMHSA-N
XLogP0.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one?
The IUPAC name of (2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one (CID 130702357) is (2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for (2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one?
The canonical SMILES for (2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one is CC(C)[C@H](O)C(=O)N1CC(F)C1.
What is the InChIKey of (2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one?
The InChIKey is VOAHLEIXMYWPTM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-5(2)7(11)8(12)10-3-6(9)4-10/h5-7,11H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one?
(2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one has a molecular weight of 175.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-fluoroazetidin-1-yl)-2-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 130702357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).