2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene

C10H15FO — CID 123774502

IUPAC2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene
SMILESCCOC1=CCC(CC)C=C1F
InChIInChI=1S/C10H15FO/c1-3-8-5-6-10(12-4-2)9(11)7-8/h6-8H,3-5H2,1-2H3
InChIKeyOJEYYOTUOLKHLR-UHFFFAOYSA-N
MW170.23 g/mol
LogP3.19
Rot. Bonds3

About 2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene

2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene (PubChem CID 123774502) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene
PubChem CID123774502
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene
SMILESCCOC1=CCC(CC)C=C1F
InChIInChI=1S/C10H15FO/c1-3-8-5-6-10(12-4-2)9(11)7-8/h6-8H,3-5H2,1-2H3
InChIKeyOJEYYOTUOLKHLR-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene?
The IUPAC name of 2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene (CID 123774502) is 2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene?
The canonical SMILES for 2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene is CCOC1=CCC(CC)C=C1F.
What is the InChIKey of 2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene?
The InChIKey is OJEYYOTUOLKHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-3-8-5-6-10(12-4-2)9(11)7-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene?
2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene has a molecular weight of 170.23 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-ethyl-3-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 123774502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).