2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine

C12H15ClFNO — CID 43366861

IUPAC2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine
SMILESCCC1COC(c2ccc(F)c(Cl)c2)CN1
InChIInChI=1S/C12H15ClFNO/c1-2-9-7-16-12(6-15-9)8-3-4-11(14)10(13)5-8/h3-5,9,12,15H,2,6-7H2,1H3
InChIKeyRDQMGQFYFNZHII-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.92
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine

2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine (PubChem CID 43366861) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine
PubChem CID43366861
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine
SMILESCCC1COC(c2ccc(F)c(Cl)c2)CN1
InChIInChI=1S/C12H15ClFNO/c1-2-9-7-16-12(6-15-9)8-3-4-11(14)10(13)5-8/h3-5,9,12,15H,2,6-7H2,1H3
InChIKeyRDQMGQFYFNZHII-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-fluorophenyl)-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 106364274
2-(3,4-difluorophenyl)-5-(2-methylpropyl)morpholine
CID 61251730
2-(4-tert-butylphenyl)-5-ethylmorpholine
CID 43366895
2-(3-chloro-4-fluorophenyl)-5,5-diethylmorpholine
CID 62518626
5-ethyl-2-(4-propylphenyl)morpholine
CID 43366877
2-(3-chloro-4-fluorophenyl)-1,4-oxazepane
CID 43498384
6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine
CID 65102383
4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile
CID 130439228
2-(3-bromo-4-fluorophenyl)-5-methylmorpholine
CID 62913908
2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine
CID 107155036
2-(3,4-difluorophenyl)-6-methyl-1,4-oxazepane
CID 65035224
5-(3,4-dichlorophenyl)-2-ethyl-1,3-oxazolidine
CID 142626520

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine (CID 43366861) is 2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine is CCC1COC(c2ccc(F)c(Cl)c2)CN1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine?
The InChIKey is RDQMGQFYFNZHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-2-9-7-16-12(6-15-9)8-3-4-11(14)10(13)5-8/h3-5,9,12,15H,2,6-7H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine?
2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine has a molecular weight of 243.71 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine is sourced from PubChem (CID 43366861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).