3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one

C8H8F3NO — CID 168935765

IUPAC3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one
SMILESC[C@@H](c1cc(F)c[nH]c1=O)C(F)F
InChIInChI=1S/C8H8F3NO/c1-4(7(10)11)6-2-5(9)3-12-8(6)13/h2-4,7H,1H3,(H,12,13)/t4-/m0/s1
InChIKeyBMCQKJSXEBSKMO-BYPYZUCNSA-N
MW191.15 g/mol
LogP1.88
Rot. Bonds2

About 3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one

3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one (PubChem CID 168935765) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one
PubChem CID168935765
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one
SMILESC[C@@H](c1cc(F)c[nH]c1=O)C(F)F
InChIInChI=1S/C8H8F3NO/c1-4(7(10)11)6-2-5(9)3-12-8(6)13/h2-4,7H,1H3,(H,12,13)/t4-/m0/s1
InChIKeyBMCQKJSXEBSKMO-BYPYZUCNSA-N
XLogP1.88
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one (CID 168935765) is 3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one is C[C@@H](c1cc(F)c[nH]c1=O)C(F)F.
What is the InChIKey of 3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one?
The InChIKey is BMCQKJSXEBSKMO-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-4(7(10)11)6-2-5(9)3-12-8(6)13/h2-4,7H,1H3,(H,12,13)/t4-/m0/s1.
What are the key properties of 3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one?
3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one has a molecular weight of 191.15 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1,1-difluoropropan-2-yl]-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 168935765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).