N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide

C12H14F3NO — CID 171089642

IUPACN,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(CC(=O)N(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-8-4-5-9(7-11(17)16(2)3)10(6-8)12(13,14)15/h4-6H,7H2,1-3H3
InChIKeyFGHWHVJEVSJNFS-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.64
Rot. Bonds2

About N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide

N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 171089642) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide
PubChem CID171089642
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(CC(=O)N(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-8-4-5-9(7-11(17)16(2)3)10(6-8)12(13,14)15/h4-6H,7H2,1-3H3
InChIKeyFGHWHVJEVSJNFS-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene
CID 91883597
1,5-dimethyl-2-[2-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 178094540
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798
2-ethyl-4-methyl-1-(trifluoromethyl)benzene
CID 89088576
4-methyl-2-(trifluoromethyl)benzoyl chloride
CID 2775606
ethyl 2-[4-chloro-2-(trifluoromethyl)phenyl]acetate
CID 53419399
N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 54940880
4-[(dimethylamino)methyl]-3-(trifluoromethyl)benzoic acid
CID 68848835
[4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol
CID 16641046
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
CID 117115013
ethyl (2E)-2-[[2-[4-chloro-2-(trifluoromethyl)phenyl]acetyl]-methylhydrazinylidene]propanoate
CID 172929947
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide (CID 171089642) is N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide is Cc1ccc(CC(=O)N(C)C)c(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FGHWHVJEVSJNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-8-4-5-9(7-11(17)16(2)3)10(6-8)12(13,14)15/h4-6H,7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide?
N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 245.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-methyl-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 171089642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).