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

C9H11F3N2O — CID 82991617

IUPAC3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one
SMILESNc1cn(CCCC(F)(F)F)ccc1=O
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)3-1-4-14-5-2-8(15)7(13)6-14/h2,5-6H,1,3-4,13H2
InChIKeyCJDBTRYCRNKAIE-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.77
Rot. Bonds3

About 3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one

3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one (PubChem CID 82991617) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one
PubChem CID82991617
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one
SMILESNc1cn(CCCC(F)(F)F)ccc1=O
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)3-1-4-14-5-2-8(15)7(13)6-14/h2,5-6H,1,3-4,13H2
InChIKeyCJDBTRYCRNKAIE-UHFFFAOYSA-N
XLogP1.77
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3,3-Trifluoropropyl)pyridin-4-one
CID 116622316
3-Amino-1-(3-fluoropropyl)-1,4-dihydropyridin-4-one
CID 82989736
3-Amino-1-(3,3,3-trifluoropropyl)-1,4-dihydropyridin-4-one
CID 82990006
3-Amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one
CID 82991601
3-Amino-1-(2-fluoroethyl)-1,4-dihydropyridin-4-one
CID 82991852
3-Amino-1-(2,2-difluoroethyl)-1,4-dihydropyridin-4-one
CID 82991866
3-Amino-1-(2,2,2-trifluoroethyl)-1,4-dihydropyridin-4-one
CID 82992304
3-Amino-5-bromo-1-(4,4,4-trifluorobutyl)pyridin-4-one
CID 103961989
3-Amino-1-[(2,2,2-trifluoroethoxy)methyl]-1,4-dihydropyridin-4-one
CID 106704856
1-(4,4,4-Trifluorobutyl)pyridin-4-one
CID 116622205
3-Amino-1-(difluoromethyl)-1,4-dihydropyridin-4-one
CID 165465800
3-Amino-1-(3-chloro-3,3-difluoropropyl)-1,4-dihydropyridin-4-one
CID 165472400

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one?
The IUPAC name of 3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one (CID 82991617) is 3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one.
What is the SMILES notation for 3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one?
The canonical SMILES for 3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one is Nc1cn(CCCC(F)(F)F)ccc1=O.
What is the InChIKey of 3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one?
The InChIKey is CJDBTRYCRNKAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)3-1-4-14-5-2-8(15)7(13)6-14/h2,5-6H,1,3-4,13H2.
What are the key properties of 3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one?
3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one has a molecular weight of 220.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,4,4-trifluorobutyl)pyridin-4-one is sourced from PubChem (CID 82991617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).