5-ethoxy-1,5-difluorocyclohexa-1,3-diene

C8H10F2O — CID 68810600

IUPAC5-ethoxy-1,5-difluorocyclohexa-1,3-diene
SMILESCCOC1(F)C=CC=C(F)C1
InChIInChI=1S/C8H10F2O/c1-2-11-8(10)5-3-4-7(9)6-8/h3-5H,2,6H2,1H3
InChIKeySMBPOUMWWRJNON-UHFFFAOYSA-N
MW160.16 g/mol
LogP2.50
Rot. Bonds2

About 5-ethoxy-1,5-difluorocyclohexa-1,3-diene

5-ethoxy-1,5-difluorocyclohexa-1,3-diene (PubChem CID 68810600) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 5-ethoxy-1,5-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethoxy-1,5-difluorocyclohexa-1,3-diene
PubChem CID68810600
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name5-ethoxy-1,5-difluorocyclohexa-1,3-diene
SMILESCCOC1(F)C=CC=C(F)C1
InChIInChI=1S/C8H10F2O/c1-2-11-8(10)5-3-4-7(9)6-8/h3-5H,2,6H2,1H3
InChIKeySMBPOUMWWRJNON-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,5-difluorocyclohexa-1,3-diene?
The IUPAC name of 5-ethoxy-1,5-difluorocyclohexa-1,3-diene (CID 68810600) is 5-ethoxy-1,5-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-ethoxy-1,5-difluorocyclohexa-1,3-diene?
The canonical SMILES for 5-ethoxy-1,5-difluorocyclohexa-1,3-diene is CCOC1(F)C=CC=C(F)C1.
What is the InChIKey of 5-ethoxy-1,5-difluorocyclohexa-1,3-diene?
The InChIKey is SMBPOUMWWRJNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c1-2-11-8(10)5-3-4-7(9)6-8/h3-5H,2,6H2,1H3.
What are the key properties of 5-ethoxy-1,5-difluorocyclohexa-1,3-diene?
5-ethoxy-1,5-difluorocyclohexa-1,3-diene has a molecular weight of 160.16 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,5-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 68810600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).