1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one

C16H20F3NO2 — CID 59789274

IUPAC1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)8-4-7-14(21)15-12-20(9-10-22-15)11-13-5-2-1-3-6-13/h1-3,5-6,15H,4,7-12H2
InChIKeyVEFUFHUXFCSTLG-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.19
Rot. Bonds6

About 1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one

1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one (PubChem CID 59789274) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one
PubChem CID59789274
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)8-4-7-14(21)15-12-20(9-10-22-15)11-13-5-2-1-3-6-13/h1-3,5-6,15H,4,7-12H2
InChIKeyVEFUFHUXFCSTLG-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one
CID 79666251
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238
N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
CID 124748373
2-[(4-benzylmorpholine-2-carbonyl)-methylamino]propanoic acid
CID 119359267
4-benzyl-2-[1-phenyl-2-[2-(trifluoromethyl)phenyl]ethenyl]morpholine
CID 68901591
4-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)morpholine-2-carboxamide
CID 111596452
(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide
CID 99846749
4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
CID 161414096
(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
CID 120615247

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one (CID 59789274) is 1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one is O=C(CCCC(F)(F)F)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one?
The InChIKey is VEFUFHUXFCSTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c17-16(18,19)8-4-7-14(21)15-12-20(9-10-22-15)11-13-5-2-1-3-6-13/h1-3,5-6,15H,4,7-12H2.
What are the key properties of 1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one?
1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one has a molecular weight of 315.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 59789274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).