5-ethoxy-5,6-difluorocyclohexa-1,3-diene

C8H10F2O — CID 70399735

IUPAC5-ethoxy-5,6-difluorocyclohexa-1,3-diene
SMILESCCOC1(F)C=CC=CC1F
InChIInChI=1S/C8H10F2O/c1-2-11-8(10)6-4-3-5-7(8)9/h3-7H,2H2,1H3
InChIKeyMLCUVOUTKHOMHY-UHFFFAOYSA-N
MW160.16 g/mol
LogP2.15
Rot. Bonds2

About 5-ethoxy-5,6-difluorocyclohexa-1,3-diene

5-ethoxy-5,6-difluorocyclohexa-1,3-diene (PubChem CID 70399735) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 5-ethoxy-5,6-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethoxy-5,6-difluorocyclohexa-1,3-diene
PubChem CID70399735
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name5-ethoxy-5,6-difluorocyclohexa-1,3-diene
SMILESCCOC1(F)C=CC=CC1F
InChIInChI=1S/C8H10F2O/c1-2-11-8(10)6-4-3-5-7(8)9/h3-7H,2H2,1H3
InChIKeyMLCUVOUTKHOMHY-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5,6-difluorocyclohexa-1,3-diene?
The IUPAC name of 5-ethoxy-5,6-difluorocyclohexa-1,3-diene (CID 70399735) is 5-ethoxy-5,6-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-ethoxy-5,6-difluorocyclohexa-1,3-diene?
The canonical SMILES for 5-ethoxy-5,6-difluorocyclohexa-1,3-diene is CCOC1(F)C=CC=CC1F.
What is the InChIKey of 5-ethoxy-5,6-difluorocyclohexa-1,3-diene?
The InChIKey is MLCUVOUTKHOMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c1-2-11-8(10)6-4-3-5-7(8)9/h3-7H,2H2,1H3.
What are the key properties of 5-ethoxy-5,6-difluorocyclohexa-1,3-diene?
5-ethoxy-5,6-difluorocyclohexa-1,3-diene has a molecular weight of 160.16 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-5,6-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 70399735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).