1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one

C10H18FNO2 — CID 130562111

IUPAC1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one
SMILESCCC1COCCN1C(=O)C(C)(C)F
InChIInChI=1S/C10H18FNO2/c1-4-8-7-14-6-5-12(8)9(13)10(2,3)11/h8H,4-7H2,1-3H3
InChIKeyMHXRIKKVVAGJTK-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.37
Rot. Bonds2

About 1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one

1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one (PubChem CID 130562111) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one
PubChem CID130562111
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one
SMILESCCC1COCCN1C(=O)C(C)(C)F
InChIInChI=1S/C10H18FNO2/c1-4-8-7-14-6-5-12(8)9(13)10(2,3)11/h8H,4-7H2,1-3H3
InChIKeyMHXRIKKVVAGJTK-UHFFFAOYSA-N
XLogP1.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one (CID 130562111) is 1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one is CCC1COCCN1C(=O)C(C)(C)F.
What is the InChIKey of 1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one?
The InChIKey is MHXRIKKVVAGJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-4-8-7-14-6-5-12(8)9(13)10(2,3)11/h8H,4-7H2,1-3H3.
What are the key properties of 1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one?
1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one has a molecular weight of 203.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylmorpholin-4-yl)-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 130562111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).