6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene

C10H13FO2 — CID 91611900

IUPAC6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene
SMILESC=CC1C(OC)=CC(F)=CC1OC
InChIInChI=1S/C10H13FO2/c1-4-8-9(12-2)5-7(11)6-10(8)13-3/h4-6,8-9H,1H2,2-3H3
InChIKeyXZWPGMXHHYCWDX-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.20
Rot. Bonds3

About 6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene

6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene (PubChem CID 91611900) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene
PubChem CID91611900
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene
SMILESC=CC1C(OC)=CC(F)=CC1OC
InChIInChI=1S/C10H13FO2/c1-4-8-9(12-2)5-7(11)6-10(8)13-3/h4-6,8-9H,1H2,2-3H3
InChIKeyXZWPGMXHHYCWDX-UHFFFAOYSA-N
XLogP2.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene?
The IUPAC name of 6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene (CID 91611900) is 6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene.
What is the SMILES notation for 6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene?
The canonical SMILES for 6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene is C=CC1C(OC)=CC(F)=CC1OC.
What is the InChIKey of 6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene?
The InChIKey is XZWPGMXHHYCWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-4-8-9(12-2)5-7(11)6-10(8)13-3/h4-6,8-9H,1H2,2-3H3.
What are the key properties of 6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene?
6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene has a molecular weight of 184.21 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene is sourced from PubChem (CID 91611900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).