5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene

C16H18F4O3 — CID 67705353

IUPAC5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1(F)C(F)=CC=CC1OC1C=CC=C(F)C1(F)COC
InChIInChI=1S/C16H18F4O3/c1-21-9-15(19)11(17)5-3-7-13(15)23-14-8-4-6-12(18)16(14,20)10-22-2/h3-8,13-14H,9-10H2,1-2H3
InChIKeyICEXOBGFICNJAP-UHFFFAOYSA-N
MW334.31 g/mol
LogP3.30
Rot. Bonds6

About 5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene

5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene (PubChem CID 67705353) has the molecular formula C16H18F4O3 and a molecular weight of 334.31 g/mol. Its IUPAC name is 5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene
PubChem CID67705353
Molecular FormulaC16H18F4O3
Molecular Weight334.31 g/mol
Exact Mass334.12
IUPAC Name5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene
SMILESCOCC1(F)C(F)=CC=CC1OC1C=CC=C(F)C1(F)COC
InChIInChI=1S/C16H18F4O3/c1-21-9-15(19)11(17)5-3-7-13(15)23-14-8-4-6-12(18)16(14,20)10-22-2/h3-8,13-14H,9-10H2,1-2H3
InChIKeyICEXOBGFICNJAP-UHFFFAOYSA-N
XLogP3.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-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 5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene (CID 67705353) is 5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene is COCC1(F)C(F)=CC=CC1OC1C=CC=C(F)C1(F)COC.
What is the InChIKey of 5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene?
The InChIKey is ICEXOBGFICNJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4O3/c1-21-9-15(19)11(17)5-3-7-13(15)23-14-8-4-6-12(18)16(14,20)10-22-2/h3-8,13-14H,9-10H2,1-2H3.
What are the key properties of 5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene?
5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene has a molecular weight of 334.31 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5,6-difluoro-6-(methoxymethyl)cyclohexa-2,4-dien-1-yl]oxy-1,6-difluoro-6-(methoxymethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 67705353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).