3-[2-(trifluoromethoxy)phenyl]butanamide

C11H12F3NO2 — CID 50995485

IUPAC3-[2-(trifluoromethoxy)phenyl]butanamide
SMILESCC(CC(N)=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7(6-10(15)16)8-4-2-3-5-9(8)17-11(12,13)14/h2-5,7H,6H2,1H3,(H2,15,16)
InChIKeyDLMSHHSXKTVDSH-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.56
Rot. Bonds4

About 3-[2-(trifluoromethoxy)phenyl]butanamide

3-[2-(trifluoromethoxy)phenyl]butanamide (PubChem CID 50995485) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)phenyl]butanamide
PubChem CID50995485
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name3-[2-(trifluoromethoxy)phenyl]butanamide
SMILESCC(CC(N)=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7(6-10(15)16)8-4-2-3-5-9(8)17-11(12,13)14/h2-5,7H,6H2,1H3,(H2,15,16)
InChIKeyDLMSHHSXKTVDSH-UHFFFAOYSA-N
XLogP2.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-methyl-4-[2-(trifluoromethoxy)phenyl]pentanoic acid
CID 151193828
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
methyl 3-methyl-2-[2-(trifluoromethoxy)phenyl]butanoate
CID 55071882
3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide
CID 170876399
methyl (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171249783
methyl (3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243050
methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
CID 60795431
2-methyl-3-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 81008606
ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate
CID 83043039
methyl 2-amino-4-[2-(trifluoromethoxy)phenyl]hexanoate
CID 174512723
3,4-dihydroxy-4-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 171878259
2-(cyclopropylmethoxy)-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 118560462

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 3-[2-(trifluoromethoxy)phenyl]butanamide (CID 50995485) is 3-[2-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 3-[2-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 3-[2-(trifluoromethoxy)phenyl]butanamide is CC(CC(N)=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is DLMSHHSXKTVDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-7(6-10(15)16)8-4-2-3-5-9(8)17-11(12,13)14/h2-5,7H,6H2,1H3,(H2,15,16).
What are the key properties of 3-[2-(trifluoromethoxy)phenyl]butanamide?
3-[2-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 247.22 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 50995485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).