1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one

C10H16F3NO2 — CID 79666251

IUPAC1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one
SMILESCCN1CCOC(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-2-14-5-6-16-9(7-14)8(15)3-4-10(11,12)13/h9H,2-7H2,1H3
InChIKeyVLHSCDGOZJMYGA-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.62
Rot. Bonds4

About 1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one

1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one (PubChem CID 79666251) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one
PubChem CID79666251
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one
SMILESCCN1CCOC(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-2-14-5-6-16-9(7-14)8(15)3-4-10(11,12)13/h9H,2-7H2,1H3
InChIKeyVLHSCDGOZJMYGA-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylmorpholine-2-carboxylate
CID 127053688
1-(4-benzylmorpholin-2-yl)-5,5,5-trifluoropentan-1-one
CID 59789274
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
1-(4-ethylmorpholin-2-yl)-3-thiophen-3-ylpropan-1-one
CID 79665999
1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one
CID 79666840
1-(4-ethylmorpholin-2-yl)-2-(4-methylphenyl)ethanone
CID 79666250
cycloheptyl-(4-ethylmorpholin-2-yl)methanone
CID 82931691
ethane;4-ethyl-2-prop-1-en-2-ylmorpholine
CID 177135934
1-(4-ethylmorpholin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347306
1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 79666582
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
(2R)-4-ethyl-2-(trifluoromethyl)morpholine
CID 121359378

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one (CID 79666251) is 1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one is CCN1CCOC(C(=O)CCC(F)(F)F)C1.
What is the InChIKey of 1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one?
The InChIKey is VLHSCDGOZJMYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-14-5-6-16-9(7-14)8(15)3-4-10(11,12)13/h9H,2-7H2,1H3.
What are the key properties of 1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one?
1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 79666251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).