4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one

C9H8F5NO2 — CID 138628379

IUPAC4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one
SMILESO=c1cc(OCC(F)(CF)C(F)(F)F)cc[nH]1
InChIInChI=1S/C9H8F5NO2/c10-4-8(11,9(12,13)14)5-17-6-1-2-15-7(16)3-6/h1-3H,4-5H2,(H,15,16)
InChIKeyPWOWMPLHGRQAJB-UHFFFAOYSA-N
MW257.16 g/mol
LogP1.99
Rot. Bonds4

About 4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one

4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one (PubChem CID 138628379) has the molecular formula C9H8F5NO2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one
PubChem CID138628379
Molecular FormulaC9H8F5NO2
Molecular Weight257.16 g/mol
Exact Mass257.05
IUPAC Name4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one
SMILESO=c1cc(OCC(F)(CF)C(F)(F)F)cc[nH]1
InChIInChI=1S/C9H8F5NO2/c10-4-8(11,9(12,13)14)5-17-6-1-2-15-7(16)3-6/h1-3H,4-5H2,(H,15,16)
InChIKeyPWOWMPLHGRQAJB-UHFFFAOYSA-N
XLogP1.99
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one?
The IUPAC name of 4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one (CID 138628379) is 4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one.
What is the SMILES notation for 4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one?
The canonical SMILES for 4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one is O=c1cc(OCC(F)(CF)C(F)(F)F)cc[nH]1.
What is the InChIKey of 4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one?
The InChIKey is PWOWMPLHGRQAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO2/c10-4-8(11,9(12,13)14)5-17-6-1-2-15-7(16)3-6/h1-3H,4-5H2,(H,15,16).
What are the key properties of 4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one?
4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one has a molecular weight of 257.16 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3,3,3-tetrafluoro-2-(fluoromethyl)propoxy]-1H-pyridin-2-one is sourced from PubChem (CID 138628379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).