(3R,6R)-3-fluoro-6-methylsulfanylcyclohexene

C7H11FS — CID 15131263

IUPAC(3R,6R)-3-fluoro-6-methylsulfanylcyclohexene
SMILESCS[C@H]1C=C[C@H](F)CC1
InChIInChI=1S/C7H11FS/c1-9-7-4-2-6(8)3-5-7/h2,4,6-7H,3,5H2,1H3/t6-,7-/m0/s1
InChIKeyHGVCIHMFXJMDGC-BQBZGAKWSA-N
MW146.23 g/mol
LogP2.41
Rot. Bonds1

About (3R,6R)-3-fluoro-6-methylsulfanylcyclohexene

(3R,6R)-3-fluoro-6-methylsulfanylcyclohexene (PubChem CID 15131263) has the molecular formula C7H11FS and a molecular weight of 146.23 g/mol. Its IUPAC name is (3R,6R)-3-fluoro-6-methylsulfanylcyclohexene.

Molecular Properties

Compound Name(3R,6R)-3-fluoro-6-methylsulfanylcyclohexene
PubChem CID15131263
Molecular FormulaC7H11FS
Molecular Weight146.23 g/mol
Exact Mass146.06
IUPAC Name(3R,6R)-3-fluoro-6-methylsulfanylcyclohexene
SMILESCS[C@H]1C=C[C@H](F)CC1
InChIInChI=1S/C7H11FS/c1-9-7-4-2-6(8)3-5-7/h2,4,6-7H,3,5H2,1H3/t6-,7-/m0/s1
InChIKeyHGVCIHMFXJMDGC-BQBZGAKWSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.41
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 (3R,6R)-3-fluoro-6-methylsulfanylcyclohexene?
The IUPAC name of (3R,6R)-3-fluoro-6-methylsulfanylcyclohexene (CID 15131263) is (3R,6R)-3-fluoro-6-methylsulfanylcyclohexene.
What is the SMILES notation for (3R,6R)-3-fluoro-6-methylsulfanylcyclohexene?
The canonical SMILES for (3R,6R)-3-fluoro-6-methylsulfanylcyclohexene is CS[C@H]1C=C[C@H](F)CC1.
What is the InChIKey of (3R,6R)-3-fluoro-6-methylsulfanylcyclohexene?
The InChIKey is HGVCIHMFXJMDGC-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H11FS/c1-9-7-4-2-6(8)3-5-7/h2,4,6-7H,3,5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (3R,6R)-3-fluoro-6-methylsulfanylcyclohexene?
(3R,6R)-3-fluoro-6-methylsulfanylcyclohexene has a molecular weight of 146.23 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3-fluoro-6-methylsulfanylcyclohexene is sourced from PubChem (CID 15131263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).