1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene

C12H16F2O2 — CID 70189298

IUPAC1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene
SMILESCCOCC1=CC=C(OC2CC2(F)F)CC1
InChIInChI=1S/C12H16F2O2/c1-2-15-8-9-3-5-10(6-4-9)16-11-7-12(11,13)14/h3,5,11H,2,4,6-8H2,1H3
InChIKeyNVMPHTBHPDTWDA-UHFFFAOYSA-N
MW230.25 g/mol
LogP3.05
Rot. Bonds5

About 1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene

1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene (PubChem CID 70189298) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene
PubChem CID70189298
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene
SMILESCCOCC1=CC=C(OC2CC2(F)F)CC1
InChIInChI=1S/C12H16F2O2/c1-2-15-8-9-3-5-10(6-4-9)16-11-7-12(11,13)14/h3,5,11H,2,4,6-8H2,1H3
InChIKeyNVMPHTBHPDTWDA-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene (CID 70189298) is 1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene is CCOCC1=CC=C(OC2CC2(F)F)CC1.
What is the InChIKey of 1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene?
The InChIKey is NVMPHTBHPDTWDA-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/h3,5,11H,2,4,6-8H2,1H3.
What are the key properties of 1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene?
1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene has a molecular weight of 230.25 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopropyl)oxy-4-(ethoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 70189298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).