1-(3,3,3-trifluoropropyl)pyridin-4-one

C8H8F3NO — CID 116622316

IUPAC1-(3,3,3-trifluoropropyl)pyridin-4-one
SMILESO=c1ccn(CCC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)3-6-12-4-1-7(13)2-5-12/h1-2,4-5H,3,6H2
InChIKeyLYJNVVLSIBJGQX-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.80
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)pyridin-4-one

1-(3,3,3-trifluoropropyl)pyridin-4-one (PubChem CID 116622316) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyridin-4-one.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyridin-4-one
PubChem CID116622316
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name1-(3,3,3-trifluoropropyl)pyridin-4-one
SMILESO=c1ccn(CCC(F)(F)F)cc1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)3-6-12-4-1-7(13)2-5-12/h1-2,4-5H,3,6H2
InChIKeyLYJNVVLSIBJGQX-UHFFFAOYSA-N
XLogP1.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2063589
(3E)-4-(dimethylamino)-1,1,1-trifluoro-3-buten-2-one
CID 2779437
4-Diethylamino-1,1,1-trifluorobut-3-en-2-one
CID 5702851
(3E)-1,1,1-Trifluoro-4-(1-pyrrolidinyl)-3-buten-2-one
CID 10965368
(3Z)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2303874
4-(Diethylamino)-1,1,1-trifluorobut-3-en-2-one
CID 2736882
(E)-4-[di(propan-2-yl)amino]-1,1,1-trifluorobut-3-en-2-one
CID 2303873
1-(2-Fluoroethyl)-4-pyridone
CID 14651887
1-(2,2,2-Trifluoroethyl)pyridin-4(1H)-one
CID 21285111
1-(2-Fluoroprop-2-enyl)pyridin-4-one
CID 57078588
1,1,1-Trifluoro-4-pyrrolidin-1-ylbut-3-en-2-one
CID 67778609
3-Methyl-1-(2,2,2-trifluoroethyl)pyridin-4-one
CID 89114537

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)pyridin-4-one?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyridin-4-one (CID 116622316) is 1-(3,3,3-trifluoropropyl)pyridin-4-one.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyridin-4-one?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyridin-4-one is O=c1ccn(CCC(F)(F)F)cc1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyridin-4-one?
The InChIKey is LYJNVVLSIBJGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)3-6-12-4-1-7(13)2-5-12/h1-2,4-5H,3,6H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)pyridin-4-one?
1-(3,3,3-trifluoropropyl)pyridin-4-one has a molecular weight of 191.15 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)pyridin-4-one is sourced from PubChem (CID 116622316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).