N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide

C12H13F4NO — CID 78858682

IUPACN-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cc1ccccc1F
InChIInChI=1S/C12H13F4NO/c1-2-17(8-12(14,15)16)11(18)7-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3
InChIKeyPNTUJUPYHOPICU-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.78
Rot. Bonds4

About N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide

N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78858682) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78858682
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC NameN-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN(CC(F)(F)F)C(=O)Cc1ccccc1F
InChIInChI=1S/C12H13F4NO/c1-2-17(8-12(14,15)16)11(18)7-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3
InChIKeyPNTUJUPYHOPICU-UHFFFAOYSA-N
XLogP2.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide
CID 86976336
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858686
N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide
CID 63756056
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(2-fluorophenyl)acetamide
CID 78771801
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methylphenyl)acetamide
CID 79386743
N,N-diethyl-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582548
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
2-[2-(aminomethyl)phenyl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 81312040
N-ethyl-2-(2-fluorophenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79381034

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 78858682) is N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide is CCN(CC(F)(F)F)C(=O)Cc1ccccc1F.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PNTUJUPYHOPICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-2-17(8-12(14,15)16)11(18)7-9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 263.23 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78858682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).