4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one

C10H14FNO — CID 122543536

IUPAC4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C)c(F)c1C(C)C
InChIInChI=1S/C10H14FNO/c1-5(2)8-7(4)12-10(13)6(3)9(8)11/h5H,1-4H3,(H,12,13)
InChIKeyVEIMLQNQICMMIU-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.25
Rot. Bonds1

About 4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one

4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one (PubChem CID 122543536) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one
PubChem CID122543536
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one
SMILESCc1[nH]c(=O)c(C)c(F)c1C(C)C
InChIInChI=1S/C10H14FNO/c1-5(2)8-7(4)12-10(13)6(3)9(8)11/h5H,1-4H3,(H,12,13)
InChIKeyVEIMLQNQICMMIU-UHFFFAOYSA-N
XLogP2.25
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one (CID 122543536) is 4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one is Cc1[nH]c(=O)c(C)c(F)c1C(C)C.
What is the InChIKey of 4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is VEIMLQNQICMMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-5(2)8-7(4)12-10(13)6(3)9(8)11/h5H,1-4H3,(H,12,13).
What are the key properties of 4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one?
4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 183.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 122543536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).