N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C13H13F6NO — CID 78858653

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F6NO/c1-2-20(8-12(14,15)16)11(21)7-9-3-5-10(6-4-9)13(17,18)19/h3-6H,2,7-8H2,1H3
InChIKeyKOAVAHRWLOEBQQ-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.66
Rot. Bonds4

About N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 78858653) has the molecular formula C13H13F6NO and a molecular weight of 313.24 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID78858653
Molecular FormulaC13H13F6NO
Molecular Weight313.24 g/mol
Exact Mass313.09
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F6NO/c1-2-20(8-12(14,15)16)11(21)7-9-3-5-10(6-4-9)13(17,18)19/h3-6H,2,7-8H2,1H3
InChIKeyKOAVAHRWLOEBQQ-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 63395080
N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114184
N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114873
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858686
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
2-[4-(aminomethyl)phenyl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 63589444
N-propyl-N-prop-2-ynyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78970529
2-[[2-(4-methylphenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257969
N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858682
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 79377939
N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858762
N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56531117

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 78858653) is N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide is CCN(CC(F)(F)F)C(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KOAVAHRWLOEBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6NO/c1-2-20(8-12(14,15)16)11(21)7-9-3-5-10(6-4-9)13(17,18)19/h3-6H,2,7-8H2,1H3.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 313.24 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 78858653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).