4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one

C15H20F3NO — CID 116557886

IUPAC4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one
SMILESCC(C)(C)NCCC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-14(2,3)19-8-7-13(20)10-11-5-4-6-12(9-11)15(16,17)18/h4-6,9,19H,7-8,10H2,1-3H3
InChIKeyMWAPPCBQYNGRQG-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.60
Rot. Bonds5

About 4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one

4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one (PubChem CID 116557886) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one.

Molecular Properties

Compound Name4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one
PubChem CID116557886
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one
SMILESCC(C)(C)NCCC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-14(2,3)19-8-7-13(20)10-11-5-4-6-12(9-11)15(16,17)18/h4-6,9,19H,7-8,10H2,1-3H3
InChIKeyMWAPPCBQYNGRQG-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-oxo-5-[3-(trifluoromethyl)phenyl]pentanoate
CID 63900904
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013
1-(prop-2-ynylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116589424
ethyl 3-oxo-4-[3-(trifluoromethyl)phenyl]butanoate
CID 45156320
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119524236
4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 105086241
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 79617609
1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62829314

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one?
The IUPAC name of 4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one (CID 116557886) is 4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one.
What is the SMILES notation for 4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one?
The canonical SMILES for 4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one is CC(C)(C)NCCC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one?
The InChIKey is MWAPPCBQYNGRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-14(2,3)19-8-7-13(20)10-11-5-4-6-12(9-11)15(16,17)18/h4-6,9,19H,7-8,10H2,1-3H3.
What are the key properties of 4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one?
4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one has a molecular weight of 287.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one is sourced from PubChem (CID 116557886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).