4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one

C18H14FNO3 — CID 59352131

IUPAC4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one
SMILESCc1ccc(F)c2c1NC(=O)C21COc2cc3c(cc21)CCO3
InChIInChI=1S/C18H14FNO3/c1-9-2-3-12(19)15-16(9)20-17(21)18(15)8-23-14-7-13-10(4-5-22-13)6-11(14)18/h2-3,6-7H,4-5,8H2,1H3,(H,20,21)
InChIKeyXXAVRHBPMCZJJJ-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.70
Rot. Bonds

About 4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one

4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one (PubChem CID 59352131) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one.

Molecular Properties

Compound Name4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one
PubChem CID59352131
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one
SMILESCc1ccc(F)c2c1NC(=O)C21COc2cc3c(cc21)CCO3
InChIInChI=1S/C18H14FNO3/c1-9-2-3-12(19)15-16(9)20-17(21)18(15)8-23-14-7-13-10(4-5-22-13)6-11(14)18/h2-3,6-7H,4-5,8H2,1H3,(H,20,21)
InChIKeyXXAVRHBPMCZJJJ-UHFFFAOYSA-N
XLogP2.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one with MolForge

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Related Compounds

5-fluorospiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one
CID 59352505
spiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one
CID 59263354
2-(5'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 11998583
7'-fluoro-1'-(oxolan-2-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352433
2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263434
4-tert-butylspiro[1H-indole-3,8'-3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine]-2-one
CID 160500443
1'-methyl-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-4'-carbaldehyde;oxolane
CID 143977057
1-benzhydryl-4-fluoro-3-hydroxy-3-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)-7-methylindol-2-one
CID 68596899
2-(2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
CID 59263485
1'-methyl-4'-(pyrrolidin-1-ylmethyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 143977151
1'-(3-aminopropyl)spiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-2'-one
CID 59352498
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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one?
The IUPAC name of 4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one (CID 59352131) is 4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one.
What is the SMILES notation for 4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one?
The canonical SMILES for 4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one is Cc1ccc(F)c2c1NC(=O)C21COc2cc3c(cc21)CCO3.
What is the InChIKey of 4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one?
The InChIKey is XXAVRHBPMCZJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-9-2-3-12(19)15-16(9)20-17(21)18(15)8-23-14-7-13-10(4-5-22-13)6-11(14)18/h2-3,6-7H,4-5,8H2,1H3,(H,20,21).
What are the key properties of 4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one?
4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one has a molecular weight of 311.31 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-methylspiro[1H-indole-3,3'-5,6-dihydro-2H-furo[3,2-f][1]benzofuran]-2-one is sourced from PubChem (CID 59352131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).