4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine

C10H18F2N2O2S2 — CID 138710928

IUPAC4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine
SMILESFC(SN1CCOCC1)C(F)SN1CCOCC1
InChIInChI=1S/C10H18F2N2O2S2/c11-9(17-13-1-5-15-6-2-13)10(12)18-14-3-7-16-8-4-14/h9-10H,1-8H2
InChIKeyZQMWJYLMZXVRCH-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.54
Rot. Bonds5

About 4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine

4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine (PubChem CID 138710928) has the molecular formula C10H18F2N2O2S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine.

Molecular Properties

Compound Name4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine
PubChem CID138710928
Molecular FormulaC10H18F2N2O2S2
Molecular Weight300.40 g/mol
Exact Mass300.08
IUPAC Name4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine
SMILESFC(SN1CCOCC1)C(F)SN1CCOCC1
InChIInChI=1S/C10H18F2N2O2S2/c11-9(17-13-1-5-15-6-2-13)10(12)18-14-3-7-16-8-4-14/h9-10H,1-8H2
InChIKeyZQMWJYLMZXVRCH-UHFFFAOYSA-N
XLogP1.54
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-yl thiohypofluorite
CID 139893676
ethane;4-methylsulfanylmorpholine
CID 143553073
morpholin-4-ylazanide
CID 59315595
ethane;4-ethylsulfanylmorpholine
CID 177159811
4-(thiomorpholin-4-yldisulfanyl)morpholine
CID 59107578
1-fluoro-N,N-dimethyl-1-morpholin-4-ylmethanamine
CID 25158604
dihydroxy-morpholin-4-ylsulfanyl-sulfanylidene-λ5-phosphane
CID 57206002
fluoromethane;4-propan-2-ylmorpholine
CID 177187231
4-[(2S)-1,1,1,3,3-pentafluoropropan-2-yl]morpholine
CID 131093423
4-prop-2-enylsulfanylmorpholine
CID 134892146
4-(2,2,2-trifluoro-1-morpholin-4-ylethyl)morpholine
CID 15531441
4-(2,2,3,3-tetrafluoropropyl)morpholine
CID 12554036

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine?
The IUPAC name of 4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine (CID 138710928) is 4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine.
What is the SMILES notation for 4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine?
The canonical SMILES for 4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine is FC(SN1CCOCC1)C(F)SN1CCOCC1.
What is the InChIKey of 4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine?
The InChIKey is ZQMWJYLMZXVRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2S2/c11-9(17-13-1-5-15-6-2-13)10(12)18-14-3-7-16-8-4-14/h9-10H,1-8H2.
What are the key properties of 4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine?
4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine has a molecular weight of 300.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-difluoro-2-morpholin-4-ylsulfanylethyl)sulfanylmorpholine is sourced from PubChem (CID 138710928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).