3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole

C14H18F3N — CID 106986404

IUPAC3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCCC(C)(C)C1CNc2c1cccc2C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-4-13(2,3)11-8-18-12-9(11)6-5-7-10(12)14(15,16)17/h5-7,11,18H,4,8H2,1-3H3
InChIKeyAJVDOGPJCKEVPJ-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.65
Rot. Bonds2

About 3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole

3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole (PubChem CID 106986404) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
PubChem CID106986404
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole
SMILESCCC(C)(C)C1CNc2c1cccc2C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-4-13(2,3)11-8-18-12-9(11)6-5-7-10(12)14(15,16)17/h5-7,11,18H,4,8H2,1-3H3
InChIKeyAJVDOGPJCKEVPJ-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluoropropan-2-yl)-7-methyl-2,3-dihydro-1H-indole
CID 84664963
7-(trifluoromethyl)-2,3-dihydro-1H-indole-3-carboxylic acid
CID 83860242
3-propyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386374
3-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386426
5-methyl-3-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole
CID 106820145
4-tert-butyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115063777
8-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-4-carbaldehyde
CID 155316157
3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole
CID 106701959
1,3-dimethyl-6-(trifluoromethyl)-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 115098429
(3aR,9bS)-6-(trifluoromethyl)-1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one
CID 11551052
1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 54002630
1-cyclopropyl-2,3-bis(trifluoromethyl)benzene
CID 175858113

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole (CID 106986404) is 3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole is CCC(C)(C)C1CNc2c1cccc2C(F)(F)F.
What is the InChIKey of 3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
The InChIKey is AJVDOGPJCKEVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-4-13(2,3)11-8-18-12-9(11)6-5-7-10(12)14(15,16)17/h5-7,11,18H,4,8H2,1-3H3.
What are the key properties of 3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole?
3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole has a molecular weight of 257.30 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yl)-7-(trifluoromethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 106986404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).