5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene

C16H21FO2 — CID 150010465

IUPAC5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene
SMILESCC(OC1(C)C=CC=CC1)OC1(F)C=CC=CC1C
InChIInChI=1S/C16H21FO2/c1-13-9-5-8-12-16(13,17)19-14(2)18-15(3)10-6-4-7-11-15/h4-10,12-14H,11H2,1-3H3
InChIKeyDDDYMFLZAIQRNF-UHFFFAOYSA-N
MW264.34 g/mol
LogP4.07
Rot. Bonds4

About 5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene

5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene (PubChem CID 150010465) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene
PubChem CID150010465
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene
SMILESCC(OC1(C)C=CC=CC1)OC1(F)C=CC=CC1C
InChIInChI=1S/C16H21FO2/c1-13-9-5-8-12-16(13,17)19-14(2)18-15(3)10-6-4-7-11-15/h4-10,12-14H,11H2,1-3H3
InChIKeyDDDYMFLZAIQRNF-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]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-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene?
The IUPAC name of 5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene (CID 150010465) is 5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene.
What is the SMILES notation for 5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene?
The canonical SMILES for 5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene is CC(OC1(C)C=CC=CC1)OC1(F)C=CC=CC1C.
What is the InChIKey of 5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene?
The InChIKey is DDDYMFLZAIQRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c1-13-9-5-8-12-16(13,17)19-14(2)18-15(3)10-6-4-7-11-15/h4-10,12-14H,11H2,1-3H3.
What are the key properties of 5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene?
5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene has a molecular weight of 264.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-5-[1-(1-methylcyclohexa-2,4-dien-1-yl)oxyethoxy]cyclohexa-1,3-diene is sourced from PubChem (CID 150010465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).