1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene

C8H10F2O — CID 89099264

IUPAC1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1C(F)=CC=CC1F
InChIInChI=1S/C8H10F2O/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4,6-7H,5H2,1H3
InChIKeyMKCMRJDVBZREIF-UHFFFAOYSA-N
MW160.16 g/mol
LogP2.01
Rot. Bonds2

About 1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene

1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene (PubChem CID 89099264) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene
PubChem CID89099264
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1C(F)=CC=CC1F
InChIInChI=1S/C8H10F2O/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4,6-7H,5H2,1H3
InChIKeyMKCMRJDVBZREIF-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene (CID 89099264) is 1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene is COCC1C(F)=CC=CC1F.
What is the InChIKey of 1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene?
The InChIKey is MKCMRJDVBZREIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4,6-7H,5H2,1H3.
What are the key properties of 1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene?
1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene has a molecular weight of 160.16 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 89099264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).