3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole

C15H20F3NO — CID 106701692

IUPAC3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole
SMILESCCCC1(CCC)CNc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C15H20F3NO/c1-3-8-14(9-4-2)10-19-13-11(14)6-5-7-12(13)20-15(16,17)18/h5-7,19H,3-4,8-10H2,1-2H3
InChIKeyGEPXHDGTWAGUDQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.85
Rot. Bonds5

About 3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole

3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole (PubChem CID 106701692) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole.

Molecular Properties

Compound Name3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole
PubChem CID106701692
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole
SMILESCCCC1(CCC)CNc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C15H20F3NO/c1-3-8-14(9-4-2)10-19-13-11(14)6-5-7-12(13)20-15(16,17)18/h5-7,19H,3-4,8-10H2,1-2H3
InChIKeyGEPXHDGTWAGUDQ-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole?
The IUPAC name of 3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole (CID 106701692) is 3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole.
What is the SMILES notation for 3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole?
The canonical SMILES for 3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole is CCCC1(CCC)CNc2c(OC(F)(F)F)cccc21.
What is the InChIKey of 3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole?
The InChIKey is GEPXHDGTWAGUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-3-8-14(9-4-2)10-19-13-11(14)6-5-7-12(13)20-15(16,17)18/h5-7,19H,3-4,8-10H2,1-2H3.
What are the key properties of 3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole?
3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole has a molecular weight of 287.32 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole is sourced from PubChem (CID 106701692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).