1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one

C11H4F11NO — CID 12726242

IUPAC1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one
SMILESO=c1ccccn1C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4F11NO/c12-8(13,11(20,21)22)7(23-4-2-1-3-5(23)24)6(9(14,15)16)10(17,18)19/h1-4H
InChIKeyMWKHSZPKOHPKIW-UHFFFAOYSA-N
MW375.14 g/mol
LogP4.38
Rot. Bonds2

About 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one

1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one (PubChem CID 12726242) has the molecular formula C11H4F11NO and a molecular weight of 375.14 g/mol. Its IUPAC name is 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one
PubChem CID12726242
Molecular FormulaC11H4F11NO
Molecular Weight375.14 g/mol
Exact Mass375.01
IUPAC Name1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one
SMILESO=c1ccccn1C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H4F11NO/c12-8(13,11(20,21)22)7(23-4-2-1-3-5(23)24)6(9(14,15)16)10(17,18)19/h1-4H
InChIKeyMWKHSZPKOHPKIW-UHFFFAOYSA-N
XLogP4.38
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.14
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one?
The IUPAC name of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one (CID 12726242) is 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one.
What is the SMILES notation for 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one?
The canonical SMILES for 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one is O=c1ccccn1C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one?
The InChIKey is MWKHSZPKOHPKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F11NO/c12-8(13,11(20,21)22)7(23-4-2-1-3-5(23)24)6(9(14,15)16)10(17,18)19/h1-4H.
What are the key properties of 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one?
1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one has a molecular weight of 375.14 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyridin-2-one is sourced from PubChem (CID 12726242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).