4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene

C10H7F3O2 — CID 142618085

IUPAC4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
SMILESFC(F)(F)Oc1ccc2c(c1)CC1OC21
InChIInChI=1S/C10H7F3O2/c11-10(12,13)15-6-1-2-7-5(3-6)4-8-9(7)14-8/h1-3,8-9H,4H2
InChIKeyOBCHDPKRFRHASV-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.58
Rot. Bonds1

About 4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene

4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene (PubChem CID 142618085) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene.

Molecular Properties

Compound Name4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
PubChem CID142618085
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
SMILESFC(F)(F)Oc1ccc2c(c1)CC1OC21
InChIInChI=1S/C10H7F3O2/c11-10(12,13)15-6-1-2-7-5(3-6)4-8-9(7)14-8/h1-3,8-9H,4H2
InChIKeyOBCHDPKRFRHASV-UHFFFAOYSA-N
XLogP2.58
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.58
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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Related Compounds

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CID 11047353
(1R,8S)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 11075153
2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 58840067
2,2-dimethyl-6-(trifluoromethoxy)-1a,7b-dihydrooxireno[2,3-c]chromene
CID 14857401
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
6-(trifluoromethoxy)spiro[3,4-dihydrochromene-2,1'-cyclopropane]-3-carboxylic acid
CID 163938213
(1R,8R)-4-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylic acid
CID 10923663
5-(trifluoromethoxy)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-9-carboxylic acid
CID 15533620
3-(4-methoxyphenyl)-7-(trifluoromethoxy)-3,4-dihydro-1H-isothiochromen-4-ol
CID 59898297
(4R)-6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844836
2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene
CID 174897462

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
The IUPAC name of 4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene (CID 142618085) is 4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene.
What is the SMILES notation for 4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
The canonical SMILES for 4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene is FC(F)(F)Oc1ccc2c(c1)CC1OC21.
What is the InChIKey of 4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
The InChIKey is OBCHDPKRFRHASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O2/c11-10(12,13)15-6-1-2-7-5(3-6)4-8-9(7)14-8/h1-3,8-9H,4H2.
What are the key properties of 4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene has a molecular weight of 216.16 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-6,6a-dihydro-1aH-indeno[1,2-b]oxirene is sourced from PubChem (CID 142618085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).