2-ethoxy-4-ethylmorpholine tetrafluoroborate

C8H17BF4NO2- — CID 174977906

IUPAC2-ethoxy-4-ethylmorpholine tetrafluoroborate
SMILESCCOC1CN(CC)CCO1.F[B-](F)(F)F
InChIInChI=1S/C8H17NO2.BF4/c1-3-9-5-6-11-8(7-9)10-4-2;2-1(3,4)5/h8H,3-7H2,1-2H3;/q;-1
InChIKeyXDORFNFXXNUIRZ-UHFFFAOYSA-N
MW246.03 g/mol
LogP2.00
Rot. Bonds3

About 2-ethoxy-4-ethylmorpholine tetrafluoroborate

2-ethoxy-4-ethylmorpholine tetrafluoroborate (PubChem CID 174977906) has the molecular formula C8H17BF4NO2- and a molecular weight of 246.03 g/mol. Its IUPAC name is 2-ethoxy-4-ethylmorpholine tetrafluoroborate.

Molecular Properties

Compound Name2-ethoxy-4-ethylmorpholine tetrafluoroborate
PubChem CID174977906
Molecular FormulaC8H17BF4NO2-
Molecular Weight246.03 g/mol
Exact Mass246.13
IUPAC Name2-ethoxy-4-ethylmorpholine tetrafluoroborate
SMILESCCOC1CN(CC)CCO1.F[B-](F)(F)F
InChIInChI=1S/C8H17NO2.BF4/c1-3-9-5-6-11-8(7-9)10-4-2;2-1(3,4)5/h8H,3-7H2,1-2H3;/q;-1
InChIKeyXDORFNFXXNUIRZ-UHFFFAOYSA-N
XLogP2.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.03
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4-ethylmorpholin-2-yl) ethanesulfonate
CID 174646070
(2R)-4-ethyl-2-(trifluoromethyl)morpholine
CID 121359378
ethane;4-ethyl-2-(trifluoromethyl)morpholine
CID 178155697
2,4-diethylmorpholine
CID 58988021
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
4-ethylmorpholine-2-carboxylate
CID 127053688
ethane;4-ethyl-2-prop-1-en-2-ylmorpholine
CID 177135934
4-ethyl-2-propylmorpholine
CID 127673597
1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one
CID 79666251
(2S)-2-(4-methylpentoxy)-4-(2-methylpropyl)morpholine
CID 172516822
1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one
CID 79666840
(2R)-4-ethyl-2-[(1R)-1-methoxyethyl]morpholine
CID 177158500

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-ethylmorpholine tetrafluoroborate?
The IUPAC name of 2-ethoxy-4-ethylmorpholine tetrafluoroborate (CID 174977906) is 2-ethoxy-4-ethylmorpholine tetrafluoroborate.
What is the SMILES notation for 2-ethoxy-4-ethylmorpholine tetrafluoroborate?
The canonical SMILES for 2-ethoxy-4-ethylmorpholine tetrafluoroborate is CCOC1CN(CC)CCO1.F[B-](F)(F)F.
What is the InChIKey of 2-ethoxy-4-ethylmorpholine tetrafluoroborate?
The InChIKey is XDORFNFXXNUIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.BF4/c1-3-9-5-6-11-8(7-9)10-4-2;2-1(3,4)5/h8H,3-7H2,1-2H3;/q;-1.
What are the key properties of 2-ethoxy-4-ethylmorpholine tetrafluoroborate?
2-ethoxy-4-ethylmorpholine tetrafluoroborate has a molecular weight of 246.03 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-ethylmorpholine tetrafluoroborate is sourced from PubChem (CID 174977906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).