(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

C14H17F2NO2 — CID 55100198

IUPAC(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H17F2NO2/c1-3-10-8-19-9(2)7-17(10)14(18)11-5-4-6-12(15)13(11)16/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyMOLPHXLQCQJXBO-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.60
Rot. Bonds2

About (2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (PubChem CID 55100198) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
PubChem CID55100198
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1cccc(F)c1F
InChIInChI=1S/C14H17F2NO2/c1-3-10-8-19-9(2)7-17(10)14(18)11-5-4-6-12(15)13(11)16/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyMOLPHXLQCQJXBO-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60628169
(5-ethyl-2-methylmorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105385751
(5-ethyl-2-methylmorpholin-4-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107721
(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone
CID 93417513
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
(5-ethyl-2-methylmorpholin-4-yl)-(2-hydroxy-3-nitrophenyl)methanone
CID 103800414
2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 63614082
(2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 115930981
[3,5-difluoro-4-(methylamino)phenyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 63185756
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863
6-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 61424915
(2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 106501494

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone (CID 55100198) is (2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is CCC1COC(C)CN1C(=O)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
The InChIKey is MOLPHXLQCQJXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-3-10-8-19-9(2)7-17(10)14(18)11-5-4-6-12(15)13(11)16/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of (2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone?
(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone has a molecular weight of 269.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 55100198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).