N-benzyl-2,2,2-trifluoro-N-methylacetamide

C10H10F3NO — CID 563406

IUPACN-benzyl-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-14(9(15)10(11,12)13)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyVGRXJRLQGWBMQL-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.21
Rot. Bonds2

About N-benzyl-2,2,2-trifluoro-N-methylacetamide

N-benzyl-2,2,2-trifluoro-N-methylacetamide (PubChem CID 563406) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-N-methylacetamide
PubChem CID563406
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-benzyl-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c1-14(9(15)10(11,12)13)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyVGRXJRLQGWBMQL-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-benzyl-2,2,2-trifluoro-N-methylacetamide (CID 563406) is N-benzyl-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-N-methylacetamide is CN(Cc1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is VGRXJRLQGWBMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-14(9(15)10(11,12)13)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of N-benzyl-2,2,2-trifluoro-N-methylacetamide?
N-benzyl-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 217.19 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 563406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).