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

C14H18F3NO — CID 62734869

IUPACN-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-13(2,3)11-7-5-10(6-8-11)9-18(4)12(19)14(15,16)17/h5-8H,9H2,1-4H3
InChIKeyPOFJSGKFVPTWKL-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.50
Rot. Bonds2

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

N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 62734869) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID62734869
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(F)(F)F
InChIInChI=1S/C14H18F3NO/c1-13(2,3)11-7-5-10(6-8-11)9-18(4)12(19)14(15,16)17/h5-8H,9H2,1-4H3
InChIKeyPOFJSGKFVPTWKL-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62735212
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-benzyl-2,2,2-trifluoro-N-methylacetamide;O-methoxyhydroxylamine
CID 90893510
1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
CID 47127305
N'-[(4-tert-butylphenyl)methyl]-N'-methyloxamide
CID 115191922
N-[(4-tert-butylphenyl)methyl]-1-cyano-N-methylformamide
CID 115172283
3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685652
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide (CID 62734869) is N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(F)(F)F.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is POFJSGKFVPTWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-13(2,3)11-7-5-10(6-8-11)9-18(4)12(19)14(15,16)17/h5-8H,9H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 273.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 62734869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).