2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole

C13H14F3N — CID 173055904

IUPAC2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole
SMILESCC(C)Cc1cc2c(C(F)(F)F)cccc2[nH]1
InChIInChI=1S/C13H14F3N/c1-8(2)6-9-7-10-11(13(14,15)16)4-3-5-12(10)17-9/h3-5,7-8,17H,6H2,1-2H3
InChIKeyUQRVVUDNJPYUPG-UHFFFAOYSA-N
MW241.26 g/mol
LogP4.39
Rot. Bonds2

About 2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole

2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole (PubChem CID 173055904) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole
PubChem CID173055904
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole
SMILESCC(C)Cc1cc2c(C(F)(F)F)cccc2[nH]1
InChIInChI=1S/C13H14F3N/c1-8(2)6-9-7-10-11(13(14,15)16)4-3-5-12(10)17-9/h3-5,7-8,17H,6H2,1-2H3
InChIKeyUQRVVUDNJPYUPG-UHFFFAOYSA-N
XLogP4.39
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

[4-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 117194261
5-fluoro-2-(2-methylpropyl)-1H-indole
CID 177351441
2-[4-(4-fluorophenyl)-4-methyl-2-(trifluoromethyl)pentyl]-4-methyl-1H-indole
CID 141074593
1-(4-methylsulfanyl-1H-indol-2-yl)propan-2-amine
CID 83917653
2-methylpropyl-oxo-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]amino]azanium
CID 22279218
4-fluoro-2-(propan-2-yloxymethyl)-1H-indole
CID 117173426
3-[4-(2-methylpropyl)phenyl]-9H-carbazole
CID 66615207
3-[4-(trifluoromethyl)-1H-indol-2-yl]-1,2-oxazol-5-amine
CID 136985669
2-[4-(3-ethyl-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1H-indole
CID 141074608
1-[2-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339947
1-(trifluoromethyl)-5,7-dihydroindolo[2,3-b]carbazole
CID 68760063
2-[(dimethylamino)methyl]-1H-indol-4-amine
CID 84662202

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole (CID 173055904) is 2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole is CC(C)Cc1cc2c(C(F)(F)F)cccc2[nH]1.
What is the InChIKey of 2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole?
The InChIKey is UQRVVUDNJPYUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c1-8(2)6-9-7-10-11(13(14,15)16)4-3-5-12(10)17-9/h3-5,7-8,17H,6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole?
2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole has a molecular weight of 241.26 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-4-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 173055904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).