3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one

C15H21F3N2O2 — CID 11209343

IUPAC3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCCN(CC)C(CC(=O)c1c(C)cc(C)[nH]c1=O)C(F)(F)F
InChIInChI=1S/C15H21F3N2O2/c1-5-20(6-2)12(15(16,17)18)8-11(21)13-9(3)7-10(4)19-14(13)22/h7,12H,5-6,8H2,1-4H3,(H,19,22)
InChIKeyVBGKVUZWVNZALE-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.84
Rot. Bonds6

About 3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one

3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 11209343) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID11209343
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCCN(CC)C(CC(=O)c1c(C)cc(C)[nH]c1=O)C(F)(F)F
InChIInChI=1S/C15H21F3N2O2/c1-5-20(6-2)12(15(16,17)18)8-11(21)13-9(3)7-10(4)19-14(13)22/h7,12H,5-6,8H2,1-4H3,(H,19,22)
InChIKeyVBGKVUZWVNZALE-UHFFFAOYSA-N
XLogP2.84
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one (CID 11209343) is 3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one is CCN(CC)C(CC(=O)c1c(C)cc(C)[nH]c1=O)C(F)(F)F.
What is the InChIKey of 3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is VBGKVUZWVNZALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-5-20(6-2)12(15(16,17)18)8-11(21)13-9(3)7-10(4)19-14(13)22/h7,12H,5-6,8H2,1-4H3,(H,19,22).
What are the key properties of 3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 318.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)-4,4,4-trifluorobutanoyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 11209343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).