N-(4-ethylphenyl)-2,2,2-trifluoroacetamide

C10H10F3NO — CID 26767

IUPACN-(4-ethylphenyl)-2,2,2-trifluoroacetamide
SMILESCCc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-2-7-3-5-8(6-4-7)14-9(15)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyVEYAGSUQCDESMW-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.75
Rot. Bonds2

About N-(4-ethylphenyl)-2,2,2-trifluoroacetamide

N-(4-ethylphenyl)-2,2,2-trifluoroacetamide (PubChem CID 26767) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,2,2-trifluoroacetamide
PubChem CID26767
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-(4-ethylphenyl)-2,2,2-trifluoroacetamide
SMILESCCc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-2-7-3-5-8(6-4-7)14-9(15)10(11,12)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyVEYAGSUQCDESMW-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-ethylphenyl)-2,2,2-trifluoroacetamide (CID 26767) is N-(4-ethylphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2,2,2-trifluoroacetamide is CCc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is VEYAGSUQCDESMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-2-7-3-5-8(6-4-7)14-9(15)10(11,12)13/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of N-(4-ethylphenyl)-2,2,2-trifluoroacetamide?
N-(4-ethylphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 217.19 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 26767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).