N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

C12H13F4NO — CID 52774182

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

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 52774182) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID52774182
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F4NO/c1-11(2,3)10(18)17-7-4-5-9(13)8(6-7)12(14,15)16/h4-6H,1-3H3,(H,17,18)
InChIKeyRJYVSFPXJSDXDY-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

1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
N-(4-fluoro-3-methylphenyl)-2,2-dimethylpropanamide
CID 63235993
methyl 2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112616812
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
2-(azetidin-1-ylsulfinyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 162557111
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 61229798
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
(2S)-2-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]butanamide
CID 79022999

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CID 52774182) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is RJYVSFPXJSDXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-11(2,3)10(18)17-7-4-5-9(13)8(6-7)12(14,15)16/h4-6H,1-3H3,(H,17,18).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
N-[4-fluoro-3-(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-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 52774182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).