N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

C12H13F4NO — CID 59677530

IUPACN-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H13F4NO/c1-11(2,3)10(18)17-9-5-4-7(13)6-8(9)12(14,15)16/h4-6H,1-3H3,(H,17,18)
InChIKeyDEGXVLYJNFDOLJ-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.83
Rot. Bonds1

About N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 59677530) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID59677530
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC NameN-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C12H13F4NO/c1-11(2,3)10(18)17-9-5-4-7(13)6-8(9)12(14,15)16/h4-6H,1-3H3,(H,17,18)
InChIKeyDEGXVLYJNFDOLJ-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 83315794
4-[[4-fluoro-2-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 68919039
2-[[4-fluoro-2-(trifluoromethyl)anilino]methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 5073617
1-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]thiourea
CID 51000208
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 60804187
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 82034298
N-[4-(2,4-difluoroanilino)phenyl]-2,2-dimethylpropanamide
CID 112989406
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N-(2-fluoro-4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 64795167
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 60814903
2-(4-fluorophenyl)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113197454

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CID 59677530) is N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is DEGXVLYJNFDOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-11(2,3)10(18)17-9-5-4-7(13)6-8(9)12(14,15)16/h4-6H,1-3H3,(H,17,18).
What are the key properties of N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 263.23 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 59677530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).