1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid

C9H10F3NO3 — CID 175954067

IUPAC1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid
SMILESCCn1ccccc1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9NO.C2HF3O2/c1-2-8-6-4-3-5-7(8)9;3-2(4,5)1(6)7/h3-6H,2H2,1H3;(H,6,7)
InChIKeyQYUNQTQTUXZWQV-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.50
Rot. Bonds1

About 1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid

1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 175954067) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid
PubChem CID175954067
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid
SMILESCCn1ccccc1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9NO.C2HF3O2/c1-2-8-6-4-3-5-7(8)9;3-2(4,5)1(6)7/h3-6H,2H2,1H3;(H,6,7)
InChIKeyQYUNQTQTUXZWQV-UHFFFAOYSA-N
XLogP1.50
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid (CID 175954067) is 1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid is CCn1ccccc1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is QYUNQTQTUXZWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.C2HF3O2/c1-2-8-6-4-3-5-7(8)9;3-2(4,5)1(6)7/h3-6H,2H2,1H3;(H,6,7).
What are the key properties of 1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid?
1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 237.18 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyridin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175954067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).