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

C13H14F3N — CID 116622885

IUPAC5-methyl-1-(4,4,4-trifluorobutyl)indole
SMILESCc1ccc2c(ccn2CCCC(F)(F)F)c1
InChIInChI=1S/C13H14F3N/c1-10-3-4-12-11(9-10)5-8-17(12)7-2-6-13(14,15)16/h3-5,8-9H,2,6-7H2,1H3
InChIKeyBZWBZLVXCVORBD-UHFFFAOYSA-N
MW241.26 g/mol
LogP4.29
Rot. Bonds3

About 5-methyl-1-(4,4,4-trifluorobutyl)indole

5-methyl-1-(4,4,4-trifluorobutyl)indole (PubChem CID 116622885) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 5-methyl-1-(4,4,4-trifluorobutyl)indole.

Molecular Properties

Compound Name5-methyl-1-(4,4,4-trifluorobutyl)indole
PubChem CID116622885
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name5-methyl-1-(4,4,4-trifluorobutyl)indole
SMILESCc1ccc2c(ccn2CCCC(F)(F)F)c1
InChIInChI=1S/C13H14F3N/c1-10-3-4-12-11(9-10)5-8-17(12)7-2-6-13(14,15)16/h3-5,8-9H,2,6-7H2,1H3
InChIKeyBZWBZLVXCVORBD-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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Related Compounds

6-methyl-1-(4,4,4-trifluorobutyl)indole
CID 116546672
2,2-dimethyl-6-(5-methylindol-1-yl)hexanoic acid
CID 106714189
2-(5-methylindol-1-yl)ethanamine;hydrochloride
CID 91640635
1-(2,2-dimethylpropyl)-5-methylindole
CID 90966063
1-(2-methoxyethyl)-5-methylindole
CID 116622979
5-methyl-1-(3-methylbut-3-enyl)indole
CID 114476776
2-(5-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116623041
2,2-dimethyl-5-(6-methylindol-1-yl)pentan-1-amine
CID 65253963
1-(methoxymethyl)-5-methylindole
CID 110831319
5-methyl-1-(2-pyridin-4-ylethyl)indole
CID 116622832
2-(5-methylindol-1-yl)acetaldehyde
CID 63554780
N-[2-(5-methylindol-1-yl)ethyl]cyclopropanamine
CID 63556204

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4,4,4-trifluorobutyl)indole?
The IUPAC name of 5-methyl-1-(4,4,4-trifluorobutyl)indole (CID 116622885) is 5-methyl-1-(4,4,4-trifluorobutyl)indole.
What is the SMILES notation for 5-methyl-1-(4,4,4-trifluorobutyl)indole?
The canonical SMILES for 5-methyl-1-(4,4,4-trifluorobutyl)indole is Cc1ccc2c(ccn2CCCC(F)(F)F)c1.
What is the InChIKey of 5-methyl-1-(4,4,4-trifluorobutyl)indole?
The InChIKey is BZWBZLVXCVORBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c1-10-3-4-12-11(9-10)5-8-17(12)7-2-6-13(14,15)16/h3-5,8-9H,2,6-7H2,1H3.
What are the key properties of 5-methyl-1-(4,4,4-trifluorobutyl)indole?
5-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 5-methyl-1-(4,4,4-trifluorobutyl)indole is sourced from PubChem (CID 116622885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).