fluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine

C5H8F2INS2 — CID 159536105

IUPACfluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine
SMILESFC1=CCCNC1.FS(=S)I
InChIInChI=1S/C5H8FN.FIS2/c6-5-2-1-3-7-4-5;1-4(2)3/h2,7H,1,3-4H2;
InChIKeyMDPLXVSKOSFCIK-UHFFFAOYSA-N
MW311.16 g/mol
LogP2.13
Rot. Bonds

About fluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine

fluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine (PubChem CID 159536105) has the molecular formula C5H8F2INS2 and a molecular weight of 311.16 g/mol. Its IUPAC name is fluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Namefluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine
PubChem CID159536105
Molecular FormulaC5H8F2INS2
Molecular Weight311.16 g/mol
Exact Mass310.91
IUPAC Namefluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine
SMILESFC1=CCCNC1.FS(=S)I
InChIInChI=1S/C5H8FN.FIS2/c6-5-2-1-3-7-4-5;1-4(2)3/h2,7H,1,3-4H2;
InChIKeyMDPLXVSKOSFCIK-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine?
The IUPAC name of fluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine (CID 159536105) is fluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for fluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine?
The canonical SMILES for fluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine is FC1=CCCNC1.FS(=S)I.
What is the InChIKey of fluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine?
The InChIKey is MDPLXVSKOSFCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN.FIS2/c6-5-2-1-3-7-4-5;1-4(2)3/h2,7H,1,3-4H2;.
What are the key properties of fluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine?
fluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine has a molecular weight of 311.16 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-iodo-sulfanylidene-λ4-sulfane;5-fluoro-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 159536105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).