[4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite

C12H25FN2O2 — CID 22172826

IUPAC[4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite
SMILESCCN(CC)CCC(CN1CCOCC1)OF
InChIInChI=1S/C12H25FN2O2/c1-3-14(4-2)6-5-12(17-13)11-15-7-9-16-10-8-15/h12H,3-11H2,1-2H3
InChIKeyPOCUNXBPUCRTKS-UHFFFAOYSA-N
MW248.34 g/mol
LogP1.32
Rot. Bonds8

About [4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite

[4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite (PubChem CID 22172826) has the molecular formula C12H25FN2O2 and a molecular weight of 248.34 g/mol. Its IUPAC name is [4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite.

Molecular Properties

Compound Name[4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite
PubChem CID22172826
Molecular FormulaC12H25FN2O2
Molecular Weight248.34 g/mol
Exact Mass248.19
IUPAC Name[4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite
SMILESCCN(CC)CCC(CN1CCOCC1)OF
InChIInChI=1S/C12H25FN2O2/c1-3-14(4-2)6-5-12(17-13)11-15-7-9-16-10-8-15/h12H,3-11H2,1-2H3
InChIKeyPOCUNXBPUCRTKS-UHFFFAOYSA-N
XLogP1.32
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite?
The IUPAC name of [4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite (CID 22172826) is [4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite.
What is the SMILES notation for [4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite?
The canonical SMILES for [4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite is CCN(CC)CCC(CN1CCOCC1)OF.
What is the InChIKey of [4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite?
The InChIKey is POCUNXBPUCRTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O2/c1-3-14(4-2)6-5-12(17-13)11-15-7-9-16-10-8-15/h12H,3-11H2,1-2H3.
What are the key properties of [4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite?
[4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite has a molecular weight of 248.34 g/mol, XLogP of 1.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-1-morpholin-4-ylbutan-2-yl] hypofluorite is sourced from PubChem (CID 22172826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).