2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide

C12H14F4N2O — CID 115282718

IUPAC2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O/c1-18(2)11(19)7-17-6-8-3-9(12(14,15)16)5-10(13)4-8/h3-5,17H,6-7H2,1-2H3
InChIKeyVVUZLOCCLQROBT-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.02
Rot. Bonds4

About 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide

2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide (PubChem CID 115282718) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide
PubChem CID115282718
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNCc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2O/c1-18(2)11(19)7-17-6-8-3-9(12(14,15)16)5-10(13)4-8/h3-5,17H,6-7H2,1-2H3
InChIKeyVVUZLOCCLQROBT-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide
CID 115282732
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 115282805
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115350323
2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide
CID 115767711
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171481
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83306725
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-one
CID 70064729
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115350279
2-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]ethoxy]acetamide
CID 106235900
methyl 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]propanoate
CID 115350555

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide (CID 115282718) is 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CNCc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide?
The InChIKey is VVUZLOCCLQROBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c1-18(2)11(19)7-17-6-8-3-9(12(14,15)16)5-10(13)4-8/h3-5,17H,6-7H2,1-2H3.
What are the key properties of 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide?
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide has a molecular weight of 278.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 115282718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).