1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one

C15H20F3NO — CID 71123849

IUPAC1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one
SMILESCCC(=O)C(CNC(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-4-14(20)13(9-19-10(2)3)11-5-7-12(8-6-11)15(16,17)18/h5-8,10,13,19H,4,9H2,1-3H3
InChIKeyZFZZDBULVGLXMI-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.77
Rot. Bonds6

About 1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one

1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one (PubChem CID 71123849) has the molecular formula C15H20F3NO and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one.

Molecular Properties

Compound Name1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one
PubChem CID71123849
Molecular FormulaC15H20F3NO
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one
SMILESCCC(=O)C(CNC(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-4-14(20)13(9-19-10(2)3)11-5-7-12(8-6-11)15(16,17)18/h5-8,10,13,19H,4,9H2,1-3H3
InChIKeyZFZZDBULVGLXMI-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(oxan-4-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one
CID 162561663
3-[4-(trifluoromethyl)phenyl]pentan-2-one
CID 63196921
1-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 83225734
2-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 68887185
propan-2-yl 2-[4-(trifluoromethyl)phenyl]butanoate
CID 162537342
1-(propan-2-ylamino)-3-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 106585563
(2S)-1-cyclopropyl-2-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(propan-2-ylamino)propan-1-one
CID 143607312
1-[4-[(5R)-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]propan-1-one
CID 24783073
ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate
CID 61499161
N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55082770
1-(3-oxopentan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 64994242
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 43566828

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one?
The IUPAC name of 1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one (CID 71123849) is 1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one.
What is the SMILES notation for 1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one?
The canonical SMILES for 1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one is CCC(=O)C(CNC(C)C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one?
The InChIKey is ZFZZDBULVGLXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-4-14(20)13(9-19-10(2)3)11-5-7-12(8-6-11)15(16,17)18/h5-8,10,13,19H,4,9H2,1-3H3.
What are the key properties of 1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one?
1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one has a molecular weight of 287.33 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]pentan-3-one is sourced from PubChem (CID 71123849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).