1-(4,4,4-trifluorobutyl)pyridin-4-one

C9H10F3NO — CID 116622205

IUPAC1-(4,4,4-trifluorobutyl)pyridin-4-one
SMILESO=c1ccn(CCCC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)4-1-5-13-6-2-8(14)3-7-13/h2-3,6-7H,1,4-5H2
InChIKeyQIZSVJXHBIPENL-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.19
Rot. Bonds3

About 1-(4,4,4-trifluorobutyl)pyridin-4-one

1-(4,4,4-trifluorobutyl)pyridin-4-one (PubChem CID 116622205) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)pyridin-4-one.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)pyridin-4-one
PubChem CID116622205
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-(4,4,4-trifluorobutyl)pyridin-4-one
SMILESO=c1ccn(CCCC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)4-1-5-13-6-2-8(14)3-7-13/h2-3,6-7H,1,4-5H2
InChIKeyQIZSVJXHBIPENL-UHFFFAOYSA-N
XLogP2.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.19
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
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
1-(1,1,1-Trifluoro-2-methylpropan-2-yl)pyridin-4-one
CID 90423696
1-(1,1,3-Trifluoro-2-methylpropan-2-yl)pyridin-4-one
CID 90423698

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)pyridin-4-one?
The IUPAC name of 1-(4,4,4-trifluorobutyl)pyridin-4-one (CID 116622205) is 1-(4,4,4-trifluorobutyl)pyridin-4-one.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)pyridin-4-one?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)pyridin-4-one is O=c1ccn(CCCC(F)(F)F)cc1.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)pyridin-4-one?
The InChIKey is QIZSVJXHBIPENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)4-1-5-13-6-2-8(14)3-7-13/h2-3,6-7H,1,4-5H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)pyridin-4-one?
1-(4,4,4-trifluorobutyl)pyridin-4-one has a molecular weight of 205.18 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)pyridin-4-one is sourced from PubChem (CID 116622205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).