2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide

C9H13F3N2O — CID 107486687

IUPAC2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
SMILESO=C(NCCC1=CCNCC1)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)8(15)14-6-3-7-1-4-13-5-2-7/h1,13H,2-6H2,(H,14,15)
InChIKeyDAFUXKNCGRRHEC-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.97
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide (PubChem CID 107486687) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
PubChem CID107486687
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
SMILESO=C(NCCC1=CCNCC1)C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)8(15)14-6-3-7-1-4-13-5-2-7/h1,13H,2-6H2,(H,14,15)
InChIKeyDAFUXKNCGRRHEC-UHFFFAOYSA-N
XLogP0.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-{[1-(3,3,4,4,4-pentafluorobutyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}acetamide
CID 50962805
N-methyl-2-[4-(trifluoromethyl)-1,2,3,6-tetrahydropyridin-1-yl]acetamide
CID 126772187
N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
CID 11095798
4-(5,5-difluoropentyl)-2,3-dihydro-1H-pyridin-6-one
CID 68344485
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,2,2-trifluoroacetamide
CID 88406802
N-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073501
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073535
2,2,2-trifluoro-N-[(1R)-2,3,5,6-tetrahydro-1H-inden-1-yl]acetamide
CID 134402787
N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 135220345
N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide
CID 138690569
3-(3,3,3-Trifluoropropyl)-1,2-dihydropyrrol-5-one
CID 153361508
1-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
CID 163630227

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide (CID 107486687) is 2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide is O=C(NCCC1=CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
The InChIKey is DAFUXKNCGRRHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)8(15)14-6-3-7-1-4-13-5-2-7/h1,13H,2-6H2,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide has a molecular weight of 222.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide is sourced from PubChem (CID 107486687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).