7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one

C26H22F3NO4 — CID 56967283

IUPAC7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one
SMILESCC1(C)CC2(C(=O)N(Cc3ccc(C(F)(F)F)o3)c3ccccc32)c2cc3c(cc2O1)OCC3
InChIInChI=1S/C26H22F3NO4/c1-24(2)14-25(18-11-15-9-10-32-20(15)12-21(18)34-24)17-5-3-4-6-19(17)30(23(25)31)13-16-7-8-22(33-16)26(27,28)29/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeySXOMSUFMLAUMCR-UHFFFAOYSA-N
MW469.46 g/mol
LogP5.63
Rot. Bonds2

About 7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one

7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one (PubChem CID 56967283) has the molecular formula C26H22F3NO4 and a molecular weight of 469.46 g/mol. Its IUPAC name is 7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one.

Molecular Properties

Compound Name7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one
PubChem CID56967283
Molecular FormulaC26H22F3NO4
Molecular Weight469.46 g/mol
Exact Mass469.15
IUPAC Name7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one
SMILESCC1(C)CC2(C(=O)N(Cc3ccc(C(F)(F)F)o3)c3ccccc32)c2cc3c(cc2O1)OCC3
InChIInChI=1S/C26H22F3NO4/c1-24(2)14-25(18-11-15-9-10-32-20(15)12-21(18)34-24)17-5-3-4-6-19(17)30(23(25)31)13-16-7-8-22(33-16)26(27,28)29/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeySXOMSUFMLAUMCR-UHFFFAOYSA-N
XLogP5.63
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.46
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2,3,6,7-tetrahydrofuro[3,2-g]chromene-5,3'-indole]-2'-one
CID 46195425
6,7-diethoxy-2,2-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-chromene-4,3'-indole]-2'-one
CID 56967168
1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 51357549
6-fluoro-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352139
6-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2,3-dihydro-[1,4]dioxino[2,3-f]indole-8,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-7-one
CID 59352361
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yloxymethyl)-3-methyl-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
CID 118123537
4'-methyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263526
3-hydroxy-3-(7-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]indol-2-one
CID 68597542
2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263485
1'-(pyrazin-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352151
1'-[3-(2,2,2-trifluoroethylamino)propyl]spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one;hydrochloride
CID 68599669
1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352498

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one?
The IUPAC name of 7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one (CID 56967283) is 7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one.
What is the SMILES notation for 7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one?
The canonical SMILES for 7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one is CC1(C)CC2(C(=O)N(Cc3ccc(C(F)(F)F)o3)c3ccccc32)c2cc3c(cc2O1)OCC3.
What is the InChIKey of 7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one?
The InChIKey is SXOMSUFMLAUMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3NO4/c1-24(2)14-25(18-11-15-9-10-32-20(15)12-21(18)34-24)17-5-3-4-6-19(17)30(23(25)31)13-16-7-8-22(33-16)26(27,28)29/h3-8,11-12H,9-10,13-14H2,1-2H3.
What are the key properties of 7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one?
7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one has a molecular weight of 469.46 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3,6-dihydro-2H-furo[3,2-g]chromene-5,3'-indole]-2'-one is sourced from PubChem (CID 56967283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).