3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole

C13H16F3N — CID 106701959

IUPAC3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole
SMILESCCC1(CC)CNc2c(C(F)(F)F)cccc21
InChIInChI=1S/C13H16F3N/c1-3-12(4-2)8-17-11-9(12)6-5-7-10(11)13(14,15)16/h5-7,17H,3-4,8H2,1-2H3
InChIKeySQLNRMQFZBTPHU-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.19
Rot. Bonds2

About 3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole

3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole (PubChem CID 106701959) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole.

Molecular Properties

Compound Name3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole
PubChem CID106701959
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole
SMILESCCC1(CC)CNc2c(C(F)(F)F)cccc21
InChIInChI=1S/C13H16F3N/c1-3-12(4-2)8-17-11-9(12)6-5-7-10(11)13(14,15)16/h5-7,17H,3-4,8H2,1-2H3
InChIKeySQLNRMQFZBTPHU-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]
CID 106701762
1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]
CID 106701715
3,3-dipropyl-7-(trifluoromethoxy)-1,2-dihydroindole
CID 106701692
3-butyl-3-ethyl-7-(trifluoromethyl)-1H-indol-2-one
CID 106702215
2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 117272157
6-bromo-3,3-diethyl-7-methoxy-1,2-dihydroindole
CID 90034768
3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol
CID 140974863
3,3-dimethyl-6-(trifluoromethyl)-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115098409
6-(trifluoromethyl)spiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclopentane]
CID 115099544
2-ethyl-7-(trifluoromethyl)-1,3-dihydroindole-2-carboxylic acid
CID 117193365
5-(trifluoromethyl)spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclobutane] 1,1-dioxide
CID 115097323
3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386374

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole?
The IUPAC name of 3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole (CID 106701959) is 3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole.
What is the SMILES notation for 3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole?
The canonical SMILES for 3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole is CCC1(CC)CNc2c(C(F)(F)F)cccc21.
What is the InChIKey of 3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole?
The InChIKey is SQLNRMQFZBTPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-3-12(4-2)8-17-11-9(12)6-5-7-10(11)13(14,15)16/h5-7,17H,3-4,8H2,1-2H3.
What are the key properties of 3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole?
3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole has a molecular weight of 243.27 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole is sourced from PubChem (CID 106701959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).