5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole

C17H16F2N2 — CID 50902602

IUPAC5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole
SMILESFc1ccc2c(c1)C(CC1CNc3ccc(F)cc31)CN2
InChIInChI=1S/C17H16F2N2/c18-12-1-3-16-14(6-12)10(8-20-16)5-11-9-21-17-4-2-13(19)7-15(11)17/h1-4,6-7,10-11,20-21H,5,8-9H2
InChIKeyAYMSYZHYHNNVSX-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.07
Rot. Bonds2

About 5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole

5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 50902602) has the molecular formula C17H16F2N2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID50902602
Molecular FormulaC17H16F2N2
Molecular Weight286.32 g/mol
Exact Mass286.13
IUPAC Name5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole
SMILESFc1ccc2c(c1)C(CC1CNc3ccc(F)cc31)CN2
InChIInChI=1S/C17H16F2N2/c18-12-1-3-16-14(6-12)10(8-20-16)5-11-9-21-17-4-2-13(19)7-15(11)17/h1-4,6-7,10-11,20-21H,5,8-9H2
InChIKeyAYMSYZHYHNNVSX-UHFFFAOYSA-N
XLogP4.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole (CID 50902602) is 5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole is Fc1ccc2c(c1)C(CC1CNc3ccc(F)cc31)CN2.
What is the InChIKey of 5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is AYMSYZHYHNNVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2/c18-12-1-3-16-14(6-12)10(8-20-16)5-11-9-21-17-4-2-13(19)7-15(11)17/h1-4,6-7,10-11,20-21H,5,8-9H2.
What are the key properties of 5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole?
5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 286.32 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(5-fluoro-2,3-dihydro-1H-indol-3-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 50902602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).