3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one

C9H13F2NO — CID 170011944

IUPAC3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1=C(F)C(F)C(C(C)C)NC1=O
InChIInChI=1S/C9H13F2NO/c1-4(2)8-7(11)6(10)5(3)9(13)12-8/h4,7-8H,1-3H3,(H,12,13)
InChIKeyKHYQLOVVADVMHO-UHFFFAOYSA-N
MW189.20 g/mol
LogP1.72
Rot. Bonds1

About 3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one

3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one (PubChem CID 170011944) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
PubChem CID170011944
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one
SMILESCC1=C(F)C(F)C(C(C)C)NC1=O
InChIInChI=1S/C9H13F2NO/c1-4(2)8-7(11)6(10)5(3)9(13)12-8/h4,7-8H,1-3H3,(H,12,13)
InChIKeyKHYQLOVVADVMHO-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
The IUPAC name of 3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one (CID 170011944) is 3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one.
What is the SMILES notation for 3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
The canonical SMILES for 3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one is CC1=C(F)C(F)C(C(C)C)NC1=O.
What is the InChIKey of 3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
The InChIKey is KHYQLOVVADVMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-4(2)8-7(11)6(10)5(3)9(13)12-8/h4,7-8H,1-3H3,(H,12,13).
What are the key properties of 3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one?
3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one has a molecular weight of 189.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-methyl-2-propan-2-yl-2,3-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 170011944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).