3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole

C18H17FN2 — CID 118448997

IUPAC3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole
SMILESCC1(C)c2ccccc2NC1c1c[nH]c2c(F)cccc12
InChIInChI=1S/C18H17FN2/c1-18(2)13-7-3-4-9-15(13)21-17(18)12-10-20-16-11(12)6-5-8-14(16)19/h3-10,17,20-21H,1-2H3
InChIKeyVLMWLYHQPQEMIT-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.75
Rot. Bonds1

About 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole

3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole (PubChem CID 118448997) has the molecular formula C18H17FN2 and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole.

Molecular Properties

Compound Name3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole
PubChem CID118448997
Molecular FormulaC18H17FN2
Molecular Weight280.35 g/mol
Exact Mass280.14
IUPAC Name3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole
SMILESCC1(C)c2ccccc2NC1c1c[nH]c2c(F)cccc12
InChIInChI=1S/C18H17FN2/c1-18(2)13-7-3-4-9-15(13)21-17(18)12-10-20-16-11(12)6-5-8-14(16)19/h3-10,17,20-21H,1-2H3
InChIKeyVLMWLYHQPQEMIT-UHFFFAOYSA-N
XLogP4.75
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole?
The IUPAC name of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole (CID 118448997) is 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole.
What is the SMILES notation for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole?
The canonical SMILES for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole is CC1(C)c2ccccc2NC1c1c[nH]c2c(F)cccc12.
What is the InChIKey of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole?
The InChIKey is VLMWLYHQPQEMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2/c1-18(2)13-7-3-4-9-15(13)21-17(18)12-10-20-16-11(12)6-5-8-14(16)19/h3-10,17,20-21H,1-2H3.
What are the key properties of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole?
3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole has a molecular weight of 280.35 g/mol, XLogP of 4.75, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-fluoro-1H-indole is sourced from PubChem (CID 118448997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).