5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole

C21H20F2N2 — CID 138981272

IUPAC5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole
SMILESCc1c(Cc2c(C)n(C)c3ccc(F)cc23)c2cc(F)ccc2n1C
InChIInChI=1S/C21H20F2N2/c1-12-16(18-9-14(22)5-7-20(18)24(12)3)11-17-13(2)25(4)21-8-6-15(23)10-19(17)21/h5-10H,11H2,1-4H3
InChIKeyTZTZAWQHIWYYOC-UHFFFAOYSA-N
MW338.40 g/mol
LogP5.16
Rot. Bonds2

About 5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole

5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole (PubChem CID 138981272) has the molecular formula C21H20F2N2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole.

Molecular Properties

Compound Name5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole
PubChem CID138981272
Molecular FormulaC21H20F2N2
Molecular Weight338.40 g/mol
Exact Mass338.16
IUPAC Name5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole
SMILESCc1c(Cc2c(C)n(C)c3ccc(F)cc23)c2cc(F)ccc2n1C
InChIInChI=1S/C21H20F2N2/c1-12-16(18-9-14(22)5-7-20(18)24(12)3)11-17-13(2)25(4)21-8-6-15(23)10-19(17)21/h5-10H,11H2,1-4H3
InChIKeyTZTZAWQHIWYYOC-UHFFFAOYSA-N
XLogP5.16
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-fluoro-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 82498244
5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632364
3-(1,4-diazepan-1-ylmethyl)-5-fluoro-1,2-dimethylindole
CID 98033914
1-[1-(5-fluoro-1,2-dimethylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84632365
5-fluoro-3-isocyanato-1,2-dimethylindole
CID 83916312
3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
CID 84623498
6-fluoro-1,4-dimethylquinolin-2-one
CID 90037108
1-(5-chloro-1,2-dimethylindol-3-yl)-N-methylmethanamine
CID 82494517
2-(5-bromo-1,2-dimethylindol-3-yl)-N-methylethanamine
CID 82502211
2-[5-(3-(19F)fluoro-5-fluorophenyl)sulfonyl-1,2-dimethylindol-3-yl]ethanamine
CID 10133373
1-(1,2-dimethyl-5-phenylindol-3-yl)-N-methylmethanamine
CID 82501498
N,N-dimethyl-2-(1,2,5-trimethylindol-3-yl)ethanamine
CID 59939722

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole?
The IUPAC name of 5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole (CID 138981272) is 5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole.
What is the SMILES notation for 5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole?
The canonical SMILES for 5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole is Cc1c(Cc2c(C)n(C)c3ccc(F)cc23)c2cc(F)ccc2n1C.
What is the InChIKey of 5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole?
The InChIKey is TZTZAWQHIWYYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2/c1-12-16(18-9-14(22)5-7-20(18)24(12)3)11-17-13(2)25(4)21-8-6-15(23)10-19(17)21/h5-10H,11H2,1-4H3.
What are the key properties of 5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole?
5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole has a molecular weight of 338.40 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(5-fluoro-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole is sourced from PubChem (CID 138981272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).