3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole

C14H16F3N — CID 155108242

IUPAC3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole
SMILESCCCc1[nH]c2ccc(C(F)(F)F)cc2c1CC
InChIInChI=1S/C14H16F3N/c1-3-5-12-10(4-2)11-8-9(14(15,16)17)6-7-13(11)18-12/h6-8,18H,3-5H2,1-2H3
InChIKeyXOAQELVQOGSVCC-UHFFFAOYSA-N
MW255.28 g/mol
LogP4.70
Rot. Bonds3

About 3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole

3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole (PubChem CID 155108242) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole
PubChem CID155108242
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole
SMILESCCCc1[nH]c2ccc(C(F)(F)F)cc2c1CC
InChIInChI=1S/C14H16F3N/c1-3-5-12-10(4-2)11-8-9(14(15,16)17)6-7-13(11)18-12/h6-8,18H,3-5H2,1-2H3
InChIKeyXOAQELVQOGSVCC-UHFFFAOYSA-N
XLogP4.70
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole?
The IUPAC name of 3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole (CID 155108242) is 3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole?
The canonical SMILES for 3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole is CCCc1[nH]c2ccc(C(F)(F)F)cc2c1CC.
What is the InChIKey of 3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole?
The InChIKey is XOAQELVQOGSVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N/c1-3-5-12-10(4-2)11-8-9(14(15,16)17)6-7-13(11)18-12/h6-8,18H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole?
3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole has a molecular weight of 255.28 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propyl-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 155108242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).