2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one

C8H5F6NO3 — CID 87802013

IUPAC2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(O)C(F)(F)F.O=c1[nH]cccc1C(F)(F)F
InChIInChI=1S/C6H4F3NO.C2HF3O2/c7-6(8,9)4-2-1-3-10-5(4)11;3-2(4,5)1(6)7/h1-3H,(H,10,11);(H,6,7)
InChIKeyXWOISUJKSWGWQJ-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.03
Rot. Bonds

About 2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one

2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 87802013) has the molecular formula C8H5F6NO3 and a molecular weight of 277.12 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID87802013
Molecular FormulaC8H5F6NO3
Molecular Weight277.12 g/mol
Exact Mass277.02
IUPAC Name2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(O)C(F)(F)F.O=c1[nH]cccc1C(F)(F)F
InChIInChI=1S/C6H4F3NO.C2HF3O2/c7-6(8,9)4-2-1-3-10-5(4)11;3-2(4,5)1(6)7/h1-3H,(H,10,11);(H,6,7)
InChIKeyXWOISUJKSWGWQJ-UHFFFAOYSA-N
XLogP2.03
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one (CID 87802013) is 2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one is O=C(O)C(F)(F)F.O=c1[nH]cccc1C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is XWOISUJKSWGWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO.C2HF3O2/c7-6(8,9)4-2-1-3-10-5(4)11;3-2(4,5)1(6)7/h1-3H,(H,10,11);(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one?
2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 277.12 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 87802013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).