2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide

C10H8F6N2O4 — CID 175874136

IUPAC2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide
SMILESCOc1cncc(NC(=O)C(F)(F)F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H7F3N2O2.C2HF3O2/c1-15-6-2-5(3-12-4-6)13-7(14)8(9,10)11;3-2(4,5)1(6)7/h2-4H,1H3,(H,13,14);(H,6,7)
InChIKeySAVFKZLEPWLVQK-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.22
Rot. Bonds2

About 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide

2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide (PubChem CID 175874136) has the molecular formula C10H8F6N2O4 and a molecular weight of 334.17 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide
PubChem CID175874136
Molecular FormulaC10H8F6N2O4
Molecular Weight334.17 g/mol
Exact Mass334.04
IUPAC Name2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide
SMILESCOc1cncc(NC(=O)C(F)(F)F)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H7F3N2O2.C2HF3O2/c1-15-6-2-5(3-12-4-6)13-7(14)8(9,10)11;3-2(4,5)1(6)7/h2-4H,1H3,(H,13,14);(H,6,7)
InChIKeySAVFKZLEPWLVQK-UHFFFAOYSA-N
XLogP2.22
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-2,2,2-trifluoroacetamide
CID 885871
N-fluoro-5-methoxypyridin-3-amine
CID 155111247
1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566393
ethane;5-methoxy-N-methylpyridin-3-amine
CID 168998921
2-chloro-3-fluoro-N-(5-methoxy-3-pyridinyl)benzamide
CID 167914388
2-(azepan-1-yl)-N-(5-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525911
N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731911
anisole;2,2,2-trifluoroacetic acid
CID 66633105
N-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134137036
N-(5-methoxy-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845366
2-ethyl-2-[(5-methoxycarbonyl-3-pyridinyl)carbamoyl]butanoic acid
CID 126838936
1-[[5-(difluoromethyl)-1,2-oxazol-3-yl]methyl]-3-(5-methoxy-3-pyridinyl)urea
CID 138025894

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide (CID 175874136) is 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide is COc1cncc(NC(=O)C(F)(F)F)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide?
The InChIKey is SAVFKZLEPWLVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2.C2HF3O2/c1-15-6-2-5(3-12-4-6)13-7(14)8(9,10)11;3-2(4,5)1(6)7/h2-4H,1H3,(H,13,14);(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide?
2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide has a molecular weight of 334.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;2,2,2-trifluoro-N-(5-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 175874136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).