6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one

C24H14F3N3O — CID 102096954

IUPAC6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one
SMILESO=C1Nc2cc(F)ccc2C1(c1c[nH]c2cc(F)ccc12)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C24H14F3N3O/c25-12-1-4-15-18(10-28-20(15)7-12)24(17-6-3-14(27)9-22(17)30-23(24)31)19-11-29-21-8-13(26)2-5-16(19)21/h1-11,28-29H,(H,30,31)
InChIKeyUEZSMNFGEHDGIG-UHFFFAOYSA-N
MW417.39 g/mol
LogP5.35
Rot. Bonds2

About 6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one

6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one (PubChem CID 102096954) has the molecular formula C24H14F3N3O and a molecular weight of 417.39 g/mol. Its IUPAC name is 6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one
PubChem CID102096954
Molecular FormulaC24H14F3N3O
Molecular Weight417.39 g/mol
Exact Mass417.11
IUPAC Name6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one
SMILESO=C1Nc2cc(F)ccc2C1(c1c[nH]c2cc(F)ccc12)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C24H14F3N3O/c25-12-1-4-15-18(10-28-20(15)7-12)24(17-6-3-14(27)9-22(17)30-23(24)31)19-11-29-21-8-13(26)2-5-16(19)21/h1-11,28-29H,(H,30,31)
InChIKeyUEZSMNFGEHDGIG-UHFFFAOYSA-N
XLogP5.35
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.39
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

6-fluoro-3',6'-dimethylspiro[1H-indole-3,9'-xanthene]-2-one
CID 14616674
7-fluoro-3-methyl-1H-quinolin-4-one
CID 175970983
6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 72698788
3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130059248
(3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130731291
6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one
CID 67232508
1-(6-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113211144
6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 69159711
3,3-bis(5-cyano-1H-indol-3-yl)-2-oxo-1H-indole-5-carbonitrile
CID 102419327
ethane;6-fluoro-3-methyl-1H-indole
CID 142460316
3-(aminomethyl)-7-fluoro-1H-quinolin-4-one
CID 82504898
5-fluoro-3-hydroxy-3-(5-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 118710068

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one?
The IUPAC name of 6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one (CID 102096954) is 6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one.
What is the SMILES notation for 6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one?
The canonical SMILES for 6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one is O=C1Nc2cc(F)ccc2C1(c1c[nH]c2cc(F)ccc12)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one?
The InChIKey is UEZSMNFGEHDGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N3O/c25-12-1-4-15-18(10-28-20(15)7-12)24(17-6-3-14(27)9-22(17)30-23(24)31)19-11-29-21-8-13(26)2-5-16(19)21/h1-11,28-29H,(H,30,31).
What are the key properties of 6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one?
6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one has a molecular weight of 417.39 g/mol, XLogP of 5.35, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,3-bis(6-fluoro-1H-indol-3-yl)-1H-indol-2-one is sourced from PubChem (CID 102096954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).