2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene

C12H11F3O2 — CID 88510513

IUPAC2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene
SMILESCC1(C)Oc2cccc(C(F)(F)F)c2C2OC21
InChIInChI=1S/C12H11F3O2/c1-11(2)10-9(16-10)8-6(12(13,14)15)4-3-5-7(8)17-11/h3-5,9-10H,1-2H3
InChIKeyJXKXQPWOBOYUCZ-UHFFFAOYSA-N
MW244.21 g/mol
LogP3.32
Rot. Bonds

About 2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene

2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene (PubChem CID 88510513) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene.

Molecular Properties

Compound Name2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene
PubChem CID88510513
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene
SMILESCC1(C)Oc2cccc(C(F)(F)F)c2C2OC21
InChIInChI=1S/C12H11F3O2/c1-11(2)10-9(16-10)8-6(12(13,14)15)4-3-5-7(8)17-11/h3-5,9-10H,1-2H3
InChIKeyJXKXQPWOBOYUCZ-UHFFFAOYSA-N
XLogP3.32
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene?
The IUPAC name of 2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene (CID 88510513) is 2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene.
What is the SMILES notation for 2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene?
The canonical SMILES for 2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene is CC1(C)Oc2cccc(C(F)(F)F)c2C2OC21.
What is the InChIKey of 2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene?
The InChIKey is JXKXQPWOBOYUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c1-11(2)10-9(16-10)8-6(12(13,14)15)4-3-5-7(8)17-11/h3-5,9-10H,1-2H3.
What are the key properties of 2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene?
2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene has a molecular weight of 244.21 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene is sourced from PubChem (CID 88510513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).