5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene

C13H12BrF3O2 — CID 116986460

IUPAC5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene
SMILESFC(F)(F)c1c2c(c(Br)c3c1OCCC3)OCCC2
InChIInChI=1S/C13H12BrF3O2/c14-10-8-4-2-5-18-11(8)9(13(15,16)17)7-3-1-6-19-12(7)10/h1-6H2
InChIKeyACYCBZZTPNCXPD-UHFFFAOYSA-N
MW337.14 g/mol
LogP4.12
Rot. Bonds

About 5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene

5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene (PubChem CID 116986460) has the molecular formula C13H12BrF3O2 and a molecular weight of 337.14 g/mol. Its IUPAC name is 5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene.

Molecular Properties

Compound Name5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene
PubChem CID116986460
Molecular FormulaC13H12BrF3O2
Molecular Weight337.14 g/mol
Exact Mass336.00
IUPAC Name5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene
SMILESFC(F)(F)c1c2c(c(Br)c3c1OCCC3)OCCC2
InChIInChI=1S/C13H12BrF3O2/c14-10-8-4-2-5-18-11(8)9(13(15,16)17)7-3-1-6-19-12(7)10/h1-6H2
InChIKeyACYCBZZTPNCXPD-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-5-(trifluoromethyl)-3,4-dihydro-2H-chromen-7-ol
CID 101361849
2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetonitrile
CID 117492995
3-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)cyclobutan-1-amine
CID 116986445
methyl 5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-10-carboxylate
CID 116986453
2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-2-methylpropanenitrile
CID 116986376
5-bromo-8-tert-butyl-6-methyl-3,4-dihydro-2H-chromene
CID 134205934
4-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)butan-2-one
CID 116986455
5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 134208901
8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene
CID 141158645
8-bromo-7-fluoro-3,4-dihydro-2H-chromene
CID 155778553
10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
CID 117446306
2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,1,2,2-tetradeuterioethanamine;hydrochloride
CID 71315721

Frequently Asked Questions

What is the IUPAC name of 5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene?
The IUPAC name of 5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene (CID 116986460) is 5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene.
What is the SMILES notation for 5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene?
The canonical SMILES for 5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene is FC(F)(F)c1c2c(c(Br)c3c1OCCC3)OCCC2.
What is the InChIKey of 5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene?
The InChIKey is ACYCBZZTPNCXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3O2/c14-10-8-4-2-5-18-11(8)9(13(15,16)17)7-3-1-6-19-12(7)10/h1-6H2.
What are the key properties of 5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene?
5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene has a molecular weight of 337.14 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-10-(trifluoromethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene is sourced from PubChem (CID 116986460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).