3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole

C23H21F3N2 — CID 102130704

IUPAC3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole
SMILESCn1cc(C(c2cn(C)c3ccccc23)(C2CC2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H21F3N2/c1-27-13-18(16-7-3-5-9-20(16)27)22(15-11-12-15,23(24,25)26)19-14-28(2)21-10-6-4-8-17(19)21/h3-10,13-15H,11-12H2,1-2H3
InChIKeySDUYEBBBGIHTRS-UHFFFAOYSA-N
MW382.43 g/mol
LogP5.93
Rot. Bonds3

About 3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole

3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole (PubChem CID 102130704) has the molecular formula C23H21F3N2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole.

Molecular Properties

Compound Name3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole
PubChem CID102130704
Molecular FormulaC23H21F3N2
Molecular Weight382.43 g/mol
Exact Mass382.17
IUPAC Name3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole
SMILESCn1cc(C(c2cn(C)c3ccccc23)(C2CC2)C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H21F3N2/c1-27-13-18(16-7-3-5-9-20(16)27)22(15-11-12-15,23(24,25)26)19-14-28(2)21-10-6-4-8-17(19)21/h3-10,13-15H,11-12H2,1-2H3
InChIKeySDUYEBBBGIHTRS-UHFFFAOYSA-N
XLogP5.93
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(1-methylindol-3-yl)propan-1-amine
CID 83840061
3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
CID 13205591
3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole
CID 132839182
2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile
CID 116840601
1-(1-methylindol-3-yl)-1-piperidin-3-ylethanol
CID 82300700
3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole
CID 91045612
2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid
CID 22943029
(1R)-2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171312426
1-cyclopropyl-3-(trifluoromethyl)indole
CID 130220200
4-methyl-4-(1-methylindol-3-yl)pentan-2-one
CID 12015252
3-(9-borabicyclo[3.3.1]nonan-9-yl)-1-methylindole
CID 135041127
1-methyl-3-propan-2-ylindole
CID 10942942

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole?
The IUPAC name of 3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole (CID 102130704) is 3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole.
What is the SMILES notation for 3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole?
The canonical SMILES for 3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole is Cn1cc(C(c2cn(C)c3ccccc23)(C2CC2)C(F)(F)F)c2ccccc21.
What is the InChIKey of 3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole?
The InChIKey is SDUYEBBBGIHTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2/c1-27-13-18(16-7-3-5-9-20(16)27)22(15-11-12-15,23(24,25)26)19-14-28(2)21-10-6-4-8-17(19)21/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of 3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole?
3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole has a molecular weight of 382.43 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole is sourced from PubChem (CID 102130704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).