N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide

C10H7F3N2O2 — CID 107468131

IUPACN-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1cccc(C#N)c1NC(=O)C(F)(F)F
InChIInChI=1S/C10H7F3N2O2/c1-17-7-4-2-3-6(5-14)8(7)15-9(16)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKeyGPEMZQFZTRTION-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.07
Rot. Bonds2

About N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide

N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 107468131) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
PubChem CID107468131
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC NameN-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1cccc(C#N)c1NC(=O)C(F)(F)F
InChIInChI=1S/C10H7F3N2O2/c1-17-7-4-2-3-6(5-14)8(7)15-9(16)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKeyGPEMZQFZTRTION-UHFFFAOYSA-N
XLogP2.07
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide
CID 107468020
N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 156877036
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzamide
CID 107467342
3-amino-N-(2-cyano-6-methoxyphenyl)-2-methoxypropanamide
CID 106114168
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide
CID 107467260
N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107467988
N-(2-cyano-6-methoxyphenyl)formamide
CID 107468180
1-[(2-cyano-6-methoxyphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107468863
1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
CID 107468358

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide (CID 107468131) is N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide is COc1cccc(C#N)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is GPEMZQFZTRTION-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-17-7-4-2-3-6(5-14)8(7)15-9(16)10(11,12)13/h2-4H,1H3,(H,15,16).
What are the key properties of N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide?
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 244.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 107468131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).