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

C12H13ClF3NO — CID 23105926

IUPAC3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1ccc(Cl)c(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C12H13ClF3NO/c1-11(2,10(17)18)6-7-3-4-9(13)8(5-7)12(14,15)16/h3-5H,6H2,1-2H3,(H2,17,18)
InChIKeyJGCLFRAJPPDKIO-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.41
Rot. Bonds3

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

3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 23105926) has the molecular formula C12H13ClF3NO and a molecular weight of 279.69 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
PubChem CID23105926
Molecular FormulaC12H13ClF3NO
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(Cc1ccc(Cl)c(C(F)(F)F)c1)C(N)=O
InChIInChI=1S/C12H13ClF3NO/c1-11(2,10(17)18)6-7-3-4-9(13)8(5-7)12(14,15)16/h3-5H,6H2,1-2H3,(H2,17,18)
InChIKeyJGCLFRAJPPDKIO-UHFFFAOYSA-N
XLogP3.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide (CID 23105926) is 3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is CC(C)(Cc1ccc(Cl)c(C(F)(F)F)c1)C(N)=O.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is JGCLFRAJPPDKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3NO/c1-11(2,10(17)18)6-7-3-4-9(13)8(5-7)12(14,15)16/h3-5H,6H2,1-2H3,(H2,17,18).
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide?
3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 279.69 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 23105926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).