(1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene

C9H15FS — CID 14113332

IUPAC(1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene
SMILESCS[C@@H]1CC/C=C\CC[C@H]1F
InChIInChI=1S/C9H15FS/c1-11-9-7-5-3-2-4-6-8(9)10/h2-3,8-9H,4-7H2,1H3/b3-2-/t8-,9-/m1/s1
InChIKeyYVWCACVEXRDURK-BNEREYBLSA-N
MW174.28 g/mol
LogP3.19
Rot. Bonds1

About (1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene

(1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene (PubChem CID 14113332) has the molecular formula C9H15FS and a molecular weight of 174.28 g/mol. Its IUPAC name is (1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene.

Molecular Properties

Compound Name(1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene
PubChem CID14113332
Molecular FormulaC9H15FS
Molecular Weight174.28 g/mol
Exact Mass174.09
IUPAC Name(1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene
SMILESCS[C@@H]1CC/C=C\CC[C@H]1F
InChIInChI=1S/C9H15FS/c1-11-9-7-5-3-2-4-6-8(9)10/h2-3,8-9H,4-7H2,1H3/b3-2-/t8-,9-/m1/s1
InChIKeyYVWCACVEXRDURK-BNEREYBLSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene?
The IUPAC name of (1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene (CID 14113332) is (1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene.
What is the SMILES notation for (1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene?
The canonical SMILES for (1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene is CS[C@@H]1CC/C=C\CC[C@H]1F.
What is the InChIKey of (1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene?
The InChIKey is YVWCACVEXRDURK-BNEREYBLSA-N. The full InChI is InChI=1S/C9H15FS/c1-11-9-7-5-3-2-4-6-8(9)10/h2-3,8-9H,4-7H2,1H3/b3-2-/t8-,9-/m1/s1.
What are the key properties of (1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene?
(1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene has a molecular weight of 174.28 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5R,6R)-5-fluoro-6-methylsulfanylcyclooctene is sourced from PubChem (CID 14113332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).