6-methyl-1-(4,4,4-trifluorobutyl)indole

C13H14F3N — CID 116546672

IUPAC6-methyl-1-(4,4,4-trifluorobutyl)indole
SMILESCc1ccc2ccn(CCCC(F)(F)F)c2c1
InChIInChI=1S/C13H14F3N/c1-10-3-4-11-5-8-17(12(11)9-10)7-2-6-13(14,15)16/h3-5,8-9H,2,6-7H2,1H3
InChIKeyHKAWQWMDBOUELC-UHFFFAOYSA-N
MW241.26 g/mol
LogP4.29
Rot. Bonds3

About 6-methyl-1-(4,4,4-trifluorobutyl)indole

6-methyl-1-(4,4,4-trifluorobutyl)indole (PubChem CID 116546672) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 6-methyl-1-(4,4,4-trifluorobutyl)indole.

Molecular Properties

Compound Name6-methyl-1-(4,4,4-trifluorobutyl)indole
PubChem CID116546672
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name6-methyl-1-(4,4,4-trifluorobutyl)indole
SMILESCc1ccc2ccn(CCCC(F)(F)F)c2c1
InChIInChI=1S/C13H14F3N/c1-10-3-4-11-5-8-17(12(11)9-10)7-2-6-13(14,15)16/h3-5,8-9H,2,6-7H2,1H3
InChIKeyHKAWQWMDBOUELC-UHFFFAOYSA-N
XLogP4.29
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4,4,4-trifluorobutyl)indole?
The IUPAC name of 6-methyl-1-(4,4,4-trifluorobutyl)indole (CID 116546672) is 6-methyl-1-(4,4,4-trifluorobutyl)indole.
What is the SMILES notation for 6-methyl-1-(4,4,4-trifluorobutyl)indole?
The canonical SMILES for 6-methyl-1-(4,4,4-trifluorobutyl)indole is Cc1ccc2ccn(CCCC(F)(F)F)c2c1.
What is the InChIKey of 6-methyl-1-(4,4,4-trifluorobutyl)indole?
The InChIKey is HKAWQWMDBOUELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c1-10-3-4-11-5-8-17(12(11)9-10)7-2-6-13(14,15)16/h3-5,8-9H,2,6-7H2,1H3.
What are the key properties of 6-methyl-1-(4,4,4-trifluorobutyl)indole?
6-methyl-1-(4,4,4-trifluorobutyl)indole has a molecular weight of 241.26 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4,4,4-trifluorobutyl)indole is sourced from PubChem (CID 116546672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).