3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one

C10H15F2NO — CID 170015897

IUPAC3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one
SMILESCC(C)C1=C(F)C(C)(F)C(C)NC1=O
InChIInChI=1S/C10H15F2NO/c1-5(2)7-8(11)10(4,12)6(3)13-9(7)14/h5-6H,1-4H3,(H,13,14)
InChIKeyIVNUEWINMRSRMH-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.11
Rot. Bonds1

About 3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one

3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one (PubChem CID 170015897) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one.

Molecular Properties

Compound Name3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one
PubChem CID170015897
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one
SMILESCC(C)C1=C(F)C(C)(F)C(C)NC1=O
InChIInChI=1S/C10H15F2NO/c1-5(2)7-8(11)10(4,12)6(3)13-9(7)14/h5-6H,1-4H3,(H,13,14)
InChIKeyIVNUEWINMRSRMH-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one?
The IUPAC name of 3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one (CID 170015897) is 3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one.
What is the SMILES notation for 3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one?
The canonical SMILES for 3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one is CC(C)C1=C(F)C(C)(F)C(C)NC1=O.
What is the InChIKey of 3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one?
The InChIKey is IVNUEWINMRSRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-5(2)7-8(11)10(4,12)6(3)13-9(7)14/h5-6H,1-4H3,(H,13,14).
What are the key properties of 3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one?
3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one has a molecular weight of 203.23 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2,3-dimethyl-5-propan-2-yl-1,2-dihydropyridin-6-one is sourced from PubChem (CID 170015897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).