1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone

C14H18FNO2 — CID 43613288

IUPAC1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone
SMILESCCC1COCCN1c1ccc(F)cc1C(C)=O
InChIInChI=1S/C14H18FNO2/c1-3-12-9-18-7-6-16(12)14-5-4-11(15)8-13(14)10(2)17/h4-5,8,12H,3,6-7,9H2,1-2H3
InChIKeyVXURDNNVZRZLJT-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.64
Rot. Bonds3

About 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone

1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone (PubChem CID 43613288) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone
PubChem CID43613288
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone
SMILESCCC1COCCN1c1ccc(F)cc1C(C)=O
InChIInChI=1S/C14H18FNO2/c1-3-12-9-18-7-6-16(12)14-5-4-11(15)8-13(14)10(2)17/h4-5,8,12H,3,6-7,9H2,1-2H3
InChIKeyVXURDNNVZRZLJT-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone
CID 5325728
1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]propan-2-amine
CID 63785668
methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate
CID 61305378
2-[(3-ethylmorpholine-4-carbonyl)amino]-5-fluorobenzoic acid
CID 61201654
2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid
CID 43313045
(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939791
2-[(3-ethylmorpholin-4-yl)methyl]-4-fluorobenzoic acid
CID 114014611
1-[5-bromo-2-(3-methylmorpholin-4-yl)phenyl]ethanone
CID 82967588
5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde
CID 114843991
4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658211
3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide
CID 82989331
4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine
CID 81152265

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone (CID 43613288) is 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone is CCC1COCCN1c1ccc(F)cc1C(C)=O.
What is the InChIKey of 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone?
The InChIKey is VXURDNNVZRZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-12-9-18-7-6-16(12)14-5-4-11(15)8-13(14)10(2)17/h4-5,8,12H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone?
1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone has a molecular weight of 251.30 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone is sourced from PubChem (CID 43613288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).