2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one

C9H10F3NO — CID 71682809

IUPAC2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one
SMILESCC(C)(c1cc(=O)cc[nH]1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-8(2,9(10,11)12)7-5-6(14)3-4-13-7/h3-5H,1-2H3,(H,13,14)
InChIKeyCUCGKHLLFAWHAD-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.21
Rot. Bonds1

About 2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one

2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one (PubChem CID 71682809) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one
PubChem CID71682809
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one
SMILESCC(C)(c1cc(=O)cc[nH]1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c1-8(2,9(10,11)12)7-5-6(14)3-4-13-7/h3-5H,1-2H3,(H,13,14)
InChIKeyCUCGKHLLFAWHAD-UHFFFAOYSA-N
XLogP2.21
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one?
The IUPAC name of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one (CID 71682809) is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one?
The canonical SMILES for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one is CC(C)(c1cc(=O)cc[nH]1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one?
The InChIKey is CUCGKHLLFAWHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-8(2,9(10,11)12)7-5-6(14)3-4-13-7/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one?
2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one has a molecular weight of 205.18 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)-1H-pyridin-4-one is sourced from PubChem (CID 71682809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).