4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine

C12H23FN2O2 — CID 23187352

IUPAC4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine
SMILESCCCC(F)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C12H23FN2O2/c1-2-3-12(13,14-4-8-16-9-5-14)15-6-10-17-11-7-15/h2-11H2,1H3
InChIKeyKYEULMDQXNVQCM-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.07
Rot. Bonds4

About 4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine

4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine (PubChem CID 23187352) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine.

Molecular Properties

Compound Name4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine
PubChem CID23187352
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Name4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine
SMILESCCCC(F)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C12H23FN2O2/c1-2-3-12(13,14-4-8-16-9-5-14)15-6-10-17-11-7-15/h2-11H2,1H3
InChIKeyKYEULMDQXNVQCM-UHFFFAOYSA-N
XLogP1.07
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Dimorpholinomethane
CID 21839
Bismorpholinoethane
CID 15930829
Dimorpholinodiethylether
CID 21889110
4-(2-Ethoxy-1-morpholin-4-ylethyl)morpholine
CID 22708479
4-(Piperidin-1-ylmethyl)morpholine
CID 54046582
4-Methyl-4-[4-(4-methylmorpholin-4-ium-4-yl)butyl]morpholin-4-ium
CID 116292
4-(1,2,2,3,3,4,4,4-Octafluoro-1-morpholin-4-ylbutyl)morpholine
CID 20085730
4-(1,2,2,3,3,3-Hexafluoro-1-morpholin-4-ylpropyl)morpholine
CID 20085731
2,2,3,3,5,5,6,6-Octafluoro-4-[1-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butyl]morpholine
CID 21692133
4-(1-Fluoro-1-morpholin-4-ylethyl)morpholine
CID 22014407
4-(1-Fluoro-1-morpholin-4-ylpropyl)morpholine
CID 22014413
4-(1-Fluoro-1-morpholin-4-ylhexyl)morpholine
CID 23187355

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine?
The IUPAC name of 4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine (CID 23187352) is 4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine.
What is the SMILES notation for 4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine?
The canonical SMILES for 4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine is CCCC(F)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine?
The InChIKey is KYEULMDQXNVQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-2-3-12(13,14-4-8-16-9-5-14)15-6-10-17-11-7-15/h2-11H2,1H3.
What are the key properties of 4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine?
4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine has a molecular weight of 246.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-1-morpholin-4-ylbutyl)morpholine is sourced from PubChem (CID 23187352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).