6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene

C10H15FO — CID 66806771

IUPAC6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene
SMILESC=CC1C(C)=CCC(F)C1OC
InChIInChI=1S/C10H15FO/c1-4-8-7(2)5-6-9(11)10(8)12-3/h4-5,8-10H,1,6H2,2-3H3
InChIKeySWMSOVFOTBDHTL-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.49
Rot. Bonds2

About 6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene

6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene (PubChem CID 66806771) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene.

Molecular Properties

Compound Name6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene
PubChem CID66806771
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene
SMILESC=CC1C(C)=CCC(F)C1OC
InChIInChI=1S/C10H15FO/c1-4-8-7(2)5-6-9(11)10(8)12-3/h4-5,8-10H,1,6H2,2-3H3
InChIKeySWMSOVFOTBDHTL-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.49
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 6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene?
The IUPAC name of 6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene (CID 66806771) is 6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene.
What is the SMILES notation for 6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene?
The canonical SMILES for 6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene is C=CC1C(C)=CCC(F)C1OC.
What is the InChIKey of 6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene?
The InChIKey is SWMSOVFOTBDHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-4-8-7(2)5-6-9(11)10(8)12-3/h4-5,8-10H,1,6H2,2-3H3.
What are the key properties of 6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene?
6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene has a molecular weight of 170.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene is sourced from PubChem (CID 66806771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).