N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide

C12H14F3NO — CID 62735212

IUPACN-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c1-3-9-4-6-10(7-5-9)8-16(2)11(17)12(13,14)15/h4-7H,3,8H2,1-2H3
InChIKeyXMHMWZDNGCFFDZ-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.77
Rot. Bonds3

About N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide

N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 62735212) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID62735212
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c1-3-9-4-6-10(7-5-9)8-16(2)11(17)12(13,14)15/h4-7H,3,8H2,1-2H3
InChIKeyXMHMWZDNGCFFDZ-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62734869
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62492005
4-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 62733184
2,2,2-trifluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 62734863
N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide
CID 115193695
N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 60630863
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
N-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine
CID 90893510
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 62492139
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 115190288
2-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethylpentanamide;hydrochloride
CID 119681313
N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82126542

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide (CID 62735212) is N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide is CCc1ccc(CN(C)C(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is XMHMWZDNGCFFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-3-9-4-6-10(7-5-9)8-16(2)11(17)12(13,14)15/h4-7H,3,8H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 245.24 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 62735212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).