5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole

C14H16F3N — CID 162038595

IUPAC5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole
SMILESCc1ccc2c(c1)CC(CC(C)(C)C(F)(F)F)=N2
InChIInChI=1S/C14H16F3N/c1-9-4-5-12-10(6-9)7-11(18-12)8-13(2,3)14(15,16)17/h4-6H,7-8H2,1-3H3
InChIKeyPZKOBEALMTUFBN-UHFFFAOYSA-N
MW255.28 g/mol
LogP4.60
Rot. Bonds2

About 5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole

5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole (PubChem CID 162038595) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole.

Molecular Properties

Compound Name5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole
PubChem CID162038595
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole
SMILESCc1ccc2c(c1)CC(CC(C)(C)C(F)(F)F)=N2
InChIInChI=1S/C14H16F3N/c1-9-4-5-12-10(6-9)7-11(18-12)8-13(2,3)14(15,16)17/h4-6H,7-8H2,1-3H3
InChIKeyPZKOBEALMTUFBN-UHFFFAOYSA-N
XLogP4.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole?
The IUPAC name of 5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole (CID 162038595) is 5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole.
What is the SMILES notation for 5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole?
The canonical SMILES for 5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole is Cc1ccc2c(c1)CC(CC(C)(C)C(F)(F)F)=N2.
What is the InChIKey of 5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole?
The InChIKey is PZKOBEALMTUFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N/c1-9-4-5-12-10(6-9)7-11(18-12)8-13(2,3)14(15,16)17/h4-6H,7-8H2,1-3H3.
What are the key properties of 5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole?
5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole has a molecular weight of 255.28 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)-3H-indole is sourced from PubChem (CID 162038595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).