5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one

C8H4F7NO — CID 172849751

IUPAC5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(C(F)(F)F)C(F)(F)F)c[nH]1
InChIInChI=1S/C8H4F7NO/c9-6(7(10,11)12,8(13,14)15)4-1-2-5(17)16-3-4/h1-3H,(H,16,17)
InChIKeyXXGLEHIDUPYLEN-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.66
Rot. Bonds1

About 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one

5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one (PubChem CID 172849751) has the molecular formula C8H4F7NO and a molecular weight of 263.11 g/mol. Its IUPAC name is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one
PubChem CID172849751
Molecular FormulaC8H4F7NO
Molecular Weight263.11 g/mol
Exact Mass263.02
IUPAC Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(C(F)(F)F)C(F)(F)F)c[nH]1
InChIInChI=1S/C8H4F7NO/c9-6(7(10,11)12,8(13,14)15)4-1-2-5(17)16-3-4/h1-3H,(H,16,17)
InChIKeyXXGLEHIDUPYLEN-UHFFFAOYSA-N
XLogP2.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[chloro(difluoro)methyl]-1H-pyridin-2-one
CID 2315451
lithium;hydride;5-(trifluoromethyl)-1H-pyridin-2-one
CID 175395479
6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-quinolin-4-one
CID 174912605
5-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 122358482
5-(1-amino-2,2,2-trifluoroethyl)-1H-pyridin-2-one
CID 55297171
6-oxo-1H-pyridine-3-carboxylic acid
CID 161433889
5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 68524641
6-oxo-1H-pyridine-3-sulfonyl fluoride
CID 138040660
ethane;bis(5-methyl-1H-pyridin-2-one)
CID 160548099
5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2-thione
CID 75406426
5-[(3-ethylphenyl)-diphenylmethyl]-1H-pyridin-2-one
CID 21333295
1-(2-propan-2-yloxyphenyl)pyrrolidine;5-(trifluoromethyl)-1H-pyridin-2-one
CID 156814419

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one (CID 172849751) is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one is O=c1ccc(C(F)(C(F)(F)F)C(F)(F)F)c[nH]1.
What is the InChIKey of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one?
The InChIKey is XXGLEHIDUPYLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F7NO/c9-6(7(10,11)12,8(13,14)15)4-1-2-5(17)16-3-4/h1-3H,(H,16,17).
What are the key properties of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one?
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one has a molecular weight of 263.11 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 172849751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).