4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene

C10H15FO2 — CID 169135542

IUPAC4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene
SMILESCOCCOC1=C(C)CCC(F)=C1
InChIInChI=1S/C10H15FO2/c1-8-3-4-9(11)7-10(8)13-6-5-12-2/h7H,3-6H2,1-2H3
InChIKeyDAYPAJGMQVRJGV-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.57
Rot. Bonds4

About 4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene

4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene (PubChem CID 169135542) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene
PubChem CID169135542
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Name4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene
SMILESCOCCOC1=C(C)CCC(F)=C1
InChIInChI=1S/C10H15FO2/c1-8-3-4-9(11)7-10(8)13-6-5-12-2/h7H,3-6H2,1-2H3
InChIKeyDAYPAJGMQVRJGV-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene?
The IUPAC name of 4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene (CID 169135542) is 4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene is COCCOC1=C(C)CCC(F)=C1.
What is the InChIKey of 4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene?
The InChIKey is DAYPAJGMQVRJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO2/c1-8-3-4-9(11)7-10(8)13-6-5-12-2/h7H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene?
4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene has a molecular weight of 186.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methoxyethoxy)-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 169135542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).