6-fluoro-4-methoxy-1,3-dimethylcyclohexene

C9H15FO — CID 143814175

IUPAC6-fluoro-4-methoxy-1,3-dimethylcyclohexene
SMILESCOC1CC(F)C(C)=CC1C
InChIInChI=1S/C9H15FO/c1-6-4-7(2)9(11-3)5-8(6)10/h4,7-9H,5H2,1-3H3
InChIKeyJQDLDJOAOPNJBE-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.33
Rot. Bonds1

About 6-fluoro-4-methoxy-1,3-dimethylcyclohexene

6-fluoro-4-methoxy-1,3-dimethylcyclohexene (PubChem CID 143814175) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 6-fluoro-4-methoxy-1,3-dimethylcyclohexene.

Molecular Properties

Compound Name6-fluoro-4-methoxy-1,3-dimethylcyclohexene
PubChem CID143814175
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name6-fluoro-4-methoxy-1,3-dimethylcyclohexene
SMILESCOC1CC(F)C(C)=CC1C
InChIInChI=1S/C9H15FO/c1-6-4-7(2)9(11-3)5-8(6)10/h4,7-9H,5H2,1-3H3
InChIKeyJQDLDJOAOPNJBE-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.33
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-fluoro-4-methoxy-1,3-dimethylcyclohexene?
The IUPAC name of 6-fluoro-4-methoxy-1,3-dimethylcyclohexene (CID 143814175) is 6-fluoro-4-methoxy-1,3-dimethylcyclohexene.
What is the SMILES notation for 6-fluoro-4-methoxy-1,3-dimethylcyclohexene?
The canonical SMILES for 6-fluoro-4-methoxy-1,3-dimethylcyclohexene is COC1CC(F)C(C)=CC1C.
What is the InChIKey of 6-fluoro-4-methoxy-1,3-dimethylcyclohexene?
The InChIKey is JQDLDJOAOPNJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-6-4-7(2)9(11-3)5-8(6)10/h4,7-9H,5H2,1-3H3.
What are the key properties of 6-fluoro-4-methoxy-1,3-dimethylcyclohexene?
6-fluoro-4-methoxy-1,3-dimethylcyclohexene has a molecular weight of 158.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methoxy-1,3-dimethylcyclohexene is sourced from PubChem (CID 143814175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).