2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene

C12H11F3O3 — CID 14857401

IUPAC2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene
SMILESCC1(C)Oc2ccc(OC(F)(F)F)cc2C2OC21
InChIInChI=1S/C12H11F3O3/c1-11(2)10-9(16-10)7-5-6(17-12(13,14)15)3-4-8(7)18-11/h3-5,9-10H,1-2H3
InChIKeyKZPOKHBMKRVVJD-UHFFFAOYSA-N
MW260.21 g/mol
LogP3.20
Rot. Bonds1

About 2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene

2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene (PubChem CID 14857401) has the molecular formula C12H11F3O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene.

Molecular Properties

Compound Name2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene
PubChem CID14857401
Molecular FormulaC12H11F3O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC Name2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene
SMILESCC1(C)Oc2ccc(OC(F)(F)F)cc2C2OC21
InChIInChI=1S/C12H11F3O3/c1-11(2)10-9(16-10)7-5-6(17-12(13,14)15)3-4-8(7)18-11/h3-5,9-10H,1-2H3
InChIKeyKZPOKHBMKRVVJD-UHFFFAOYSA-N
XLogP3.20
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1aS,7bS)-6-methoxy-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene
CID 13222925
(1aS,7bR)-2,2-dimethyl-6-propoxy-1a,7b-dihydrooxireno[2,3-c]chromene
CID 129385470
(3S,4R)-2,2-dimethyl-4-[(4-methylimino-1,1-dioxo-1,2,5-thiadiazolidin-3-ylidene)amino]-6-(trifluoromethoxy)-3,4-dihydrochromen-3-ol
CID 135415864
1-[(1aS,7bR)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl]ethanone
CID 129383166
(2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-5-yl) acetate
CID 72978618
[(1aS,7bS)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-5-yl] acetate
CID 11481711
N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide
CID 19824178
(1aS,7bS)-6-benzyl-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene
CID 10825653
N-[(1aR,7bS)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl]acetamide
CID 129383167
2,2-dimethyl-7-(trifluoromethyl)-1a,7b-dihydrooxireno[2,3-c]chromene
CID 88510513
(1S,8R,9R,10S)-9,10-dibromo-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 11047353
2,2-dimethyl-7-(trifluoromethoxy)-3,4-dihydrochromen-4-amine
CID 68595948

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene?
The IUPAC name of 2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene (CID 14857401) is 2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene.
What is the SMILES notation for 2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene?
The canonical SMILES for 2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene is CC1(C)Oc2ccc(OC(F)(F)F)cc2C2OC21.
What is the InChIKey of 2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene?
The InChIKey is KZPOKHBMKRVVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O3/c1-11(2)10-9(16-10)7-5-6(17-12(13,14)15)3-4-8(7)18-11/h3-5,9-10H,1-2H3.
What are the key properties of 2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene?
2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene has a molecular weight of 260.21 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene is sourced from PubChem (CID 14857401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).