4-(1,1-difluoroethylsulfanylperoxy)morpholine

C6H11F2NO3S — CID 88869793

IUPAC4-(1,1-difluoroethylsulfanylperoxy)morpholine
SMILESCC(F)(F)SOON1CCOCC1
InChIInChI=1S/C6H11F2NO3S/c1-6(7,8)13-12-11-9-2-4-10-5-3-9/h2-5H2,1H3
InChIKeyZONFWKLLBGSTHL-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.44
Rot. Bonds4

About 4-(1,1-difluoroethylsulfanylperoxy)morpholine

4-(1,1-difluoroethylsulfanylperoxy)morpholine (PubChem CID 88869793) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-(1,1-difluoroethylsulfanylperoxy)morpholine.

Molecular Properties

Compound Name4-(1,1-difluoroethylsulfanylperoxy)morpholine
PubChem CID88869793
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name4-(1,1-difluoroethylsulfanylperoxy)morpholine
SMILESCC(F)(F)SOON1CCOCC1
InChIInChI=1S/C6H11F2NO3S/c1-6(7,8)13-12-11-9-2-4-10-5-3-9/h2-5H2,1H3
InChIKeyZONFWKLLBGSTHL-UHFFFAOYSA-N
XLogP1.44
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(trioxidanyl)morpholine
CID 58031133
trimorpholin-4-yl borate
CID 57215155
4-morpholin-4-yloxymorpholine;dihydrochloride
CID 174483627
4-morpholin-4-ylperoxysulfanylbenzene-1,2-dithiol
CID 20686120
N-methyl-2-morpholin-4-ylpropan-2-amine
CID 166844618
4-(2,3,3,4-tetrafluorobutan-2-yl)morpholine
CID 90955605
4-tert-butylmorpholine;2-methoxy-2-methylpropane
CID 159275308
4-[(2S)-1,1,1-trifluoropropan-2-yl]morpholine
CID 90180655
2,2-difluoro-3-methoxy-1-morpholin-4-ylpropan-1-one
CID 139403937
7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one
CID 113326846
2-morpholin-4-ylpropane-2-thiol
CID 139318537
4-(2,2,4,4-tetramethylpentan-3-yl)morpholine
CID 57301157

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethylsulfanylperoxy)morpholine?
The IUPAC name of 4-(1,1-difluoroethylsulfanylperoxy)morpholine (CID 88869793) is 4-(1,1-difluoroethylsulfanylperoxy)morpholine.
What is the SMILES notation for 4-(1,1-difluoroethylsulfanylperoxy)morpholine?
The canonical SMILES for 4-(1,1-difluoroethylsulfanylperoxy)morpholine is CC(F)(F)SOON1CCOCC1.
What is the InChIKey of 4-(1,1-difluoroethylsulfanylperoxy)morpholine?
The InChIKey is ZONFWKLLBGSTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c1-6(7,8)13-12-11-9-2-4-10-5-3-9/h2-5H2,1H3.
What are the key properties of 4-(1,1-difluoroethylsulfanylperoxy)morpholine?
4-(1,1-difluoroethylsulfanylperoxy)morpholine has a molecular weight of 215.22 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethylsulfanylperoxy)morpholine is sourced from PubChem (CID 88869793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).