3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one

C10H13F3N2O2 — CID 82991601

IUPAC3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one
SMILESNc1cn(CCCOCC(F)(F)F)ccc1=O
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)7-17-5-1-3-15-4-2-9(16)8(14)6-15/h2,4,6H,1,3,5,7,14H2
InChIKeyOTVGCQVCROEXRO-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.40
Rot. Bonds5

About 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one

3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one (PubChem CID 82991601) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one
PubChem CID82991601
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one
SMILESNc1cn(CCCOCC(F)(F)F)ccc1=O
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)7-17-5-1-3-15-4-2-9(16)8(14)6-15/h2,4,6H,1,3,5,7,14H2
InChIKeyOTVGCQVCROEXRO-UHFFFAOYSA-N
XLogP1.40
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-4-one
CID 82991600
3-Amino-1-(4,4,4-trifluorobutyl)-1,4-dihydropyridin-4-one
CID 82991617
3-Amino-1-(2,2-difluoroethyl)-1,4-dihydropyridin-4-one
CID 82991866
3-Amino-1-[2-(trifluoromethoxy)ethyl]-1,4-dihydropyridin-4-one
CID 82993013
3-Amino-5-bromo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one
CID 103962035
3-Amino-1-[(2,2,2-trifluoroethoxy)methyl]-1,4-dihydropyridin-4-one
CID 106704856
1-[3-(2,2,2-Trifluoroethoxy)propyl]pyridin-4-one
CID 116622393
3-Amino-1-(4,4-difluorobutyl)-1,4-dihydropyridin-4-one
CID 165472721
3-Amino-1-(2,2-difluorobutyl)-1,4-dihydropyridin-4-one
CID 165479584
3-Amino-1-(2,2-difluoropropyl)-1,4-dihydropyridin-4-one
CID 165479590

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one (CID 82991601) is 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one is Nc1cn(CCCOCC(F)(F)F)ccc1=O.
What is the InChIKey of 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one?
The InChIKey is OTVGCQVCROEXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)7-17-5-1-3-15-4-2-9(16)8(14)6-15/h2,4,6H,1,3,5,7,14H2.
What are the key properties of 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one?
3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one has a molecular weight of 250.22 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-4-one is sourced from PubChem (CID 82991601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).