1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene

C9H13FO — CID 173018101

IUPAC1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene
SMILESCCOCC1=CC(F)=CCC1
InChIInChI=1S/C9H13FO/c1-2-11-7-8-4-3-5-9(10)6-8/h5-6H,2-4,7H2,1H3
InChIKeyIFSGNDVWCFYPBM-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.60
Rot. Bonds3

About 1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene

1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene (PubChem CID 173018101) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene
PubChem CID173018101
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene
SMILESCCOCC1=CC(F)=CCC1
InChIInChI=1S/C9H13FO/c1-2-11-7-8-4-3-5-9(10)6-8/h5-6H,2-4,7H2,1H3
InChIKeyIFSGNDVWCFYPBM-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene?
The IUPAC name of 1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene (CID 173018101) is 1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene?
The canonical SMILES for 1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene is CCOCC1=CC(F)=CCC1.
What is the InChIKey of 1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene?
The InChIKey is IFSGNDVWCFYPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-2-11-7-8-4-3-5-9(10)6-8/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene?
1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene has a molecular weight of 156.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-3-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 173018101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).