2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one

C11H12F3NO2 — CID 116560235

IUPAC2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
SMILESCC(C)(N)C(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-10(2,15)9(16)7-4-3-5-8(6-7)17-11(12,13)14/h3-6H,15H2,1-2H3
InChIKeyGIBXRQYOUOWWKC-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.51
Rot. Bonds3

About 2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one

2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one (PubChem CID 116560235) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
PubChem CID116560235
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
SMILESCC(C)(N)C(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H12F3NO2/c1-10(2,15)9(16)7-4-3-5-8(6-7)17-11(12,13)14/h3-6H,15H2,1-2H3
InChIKeyGIBXRQYOUOWWKC-UHFFFAOYSA-N
XLogP2.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
(3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116552314
ethyl 2-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 151326809
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511
3-amino-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116606380
2-amino-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116554707
2-amino-3-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116552839
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
ethane;3-(trifluoromethoxy)phenol
CID 143201974

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one (CID 116560235) is 2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one is CC(C)(N)C(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one?
The InChIKey is GIBXRQYOUOWWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-10(2,15)9(16)7-4-3-5-8(6-7)17-11(12,13)14/h3-6H,15H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one?
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one has a molecular weight of 247.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 116560235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).