2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

C12H14F3NO2 — CID 134793956

IUPAC2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCOCC(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-16(11(17)8-18-2)7-9-4-3-5-10(6-9)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyRULJITILZZTWEX-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.31
Rot. Bonds4

About 2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide

2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 134793956) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID134793956
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCOCC(=O)N(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-16(11(17)8-18-2)7-9-4-3-5-10(6-9)12(13,14)15/h3-6H,7-8H2,1-2H3
InChIKeyRULJITILZZTWEX-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide (CID 134793956) is 2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is COCC(=O)N(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is RULJITILZZTWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-16(11(17)8-18-2)7-9-4-3-5-10(6-9)12(13,14)15/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide?
2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 261.24 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 134793956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).