2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide

C8H7F3N2O — CID 4159002

IUPAC2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(NCc1ccccn1)C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7(14)13-5-6-3-1-2-4-12-6/h1-4H,5H2,(H,13,14)
InChIKeySCEMKHWGDPXKIJ-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.26
Rot. Bonds2

About 2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide

2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 4159002) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
PubChem CID4159002
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(NCc1ccccn1)C(F)(F)F
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7(14)13-5-6-3-1-2-4-12-6/h1-4H,5H2,(H,13,14)
InChIKeySCEMKHWGDPXKIJ-UHFFFAOYSA-N
XLogP1.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(pyridin-2-ylmethyl)nonanamide
CID 3484227
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
4,4,4-trifluoro-3-methyl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 123609120
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 108999285
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide (CID 4159002) is 2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide is O=C(NCc1ccccn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is SCEMKHWGDPXKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)7(14)13-5-6-3-1-2-4-12-6/h1-4H,5H2,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide?
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 204.15 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 4159002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).