2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane

C12H15F3O2 — CID 138723745

IUPAC2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane
SMILESCC1=C(F)C(F)=C(F)CC1OC1CCCCO1
InChIInChI=1S/C12H15F3O2/c1-7-9(6-8(13)12(15)11(7)14)17-10-4-2-3-5-16-10/h9-10H,2-6H2,1H3
InChIKeyFUYKSXGYRJNNSN-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.70
Rot. Bonds2

About 2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane

2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane (PubChem CID 138723745) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane.

Molecular Properties

Compound Name2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane
PubChem CID138723745
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane
SMILESCC1=C(F)C(F)=C(F)CC1OC1CCCCO1
InChIInChI=1S/C12H15F3O2/c1-7-9(6-8(13)12(15)11(7)14)17-10-4-2-3-5-16-10/h9-10H,2-6H2,1H3
InChIKeyFUYKSXGYRJNNSN-UHFFFAOYSA-N
XLogP3.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane 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 2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane?
The IUPAC name of 2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane (CID 138723745) is 2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane.
What is the SMILES notation for 2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane?
The canonical SMILES for 2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane is CC1=C(F)C(F)=C(F)CC1OC1CCCCO1.
What is the InChIKey of 2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane?
The InChIKey is FUYKSXGYRJNNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-7-9(6-8(13)12(15)11(7)14)17-10-4-2-3-5-16-10/h9-10H,2-6H2,1H3.
What are the key properties of 2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane?
2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane has a molecular weight of 248.24 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trifluoro-2-methylcyclohexa-2,4-dien-1-yl)oxyoxane is sourced from PubChem (CID 138723745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).