5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene

C12H16F2O2 — CID 70837187

IUPAC5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene
SMILESCCOCC1=CCC(OC2CC2(F)F)C=C1
InChIInChI=1S/C12H16F2O2/c1-2-15-8-9-3-5-10(6-4-9)16-11-7-12(11,13)14/h3-5,10-11H,2,6-8H2,1H3
InChIKeyUESREADRTRYMGX-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.70
Rot. Bonds5

About 5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene

5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene (PubChem CID 70837187) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene
PubChem CID70837187
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene
SMILESCCOCC1=CCC(OC2CC2(F)F)C=C1
InChIInChI=1S/C12H16F2O2/c1-2-15-8-9-3-5-10(6-4-9)16-11-7-12(11,13)14/h3-5,10-11H,2,6-8H2,1H3
InChIKeyUESREADRTRYMGX-UHFFFAOYSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene (CID 70837187) is 5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene is CCOCC1=CCC(OC2CC2(F)F)C=C1.
What is the InChIKey of 5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene?
The InChIKey is UESREADRTRYMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-2-15-8-9-3-5-10(6-4-9)16-11-7-12(11,13)14/h3-5,10-11H,2,6-8H2,1H3.
What are the key properties of 5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene?
5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene has a molecular weight of 230.25 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluorocyclopropyl)oxy-2-(ethoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 70837187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).