1-butan-2-yl-3-(trifluoromethyl)indole

C13H14F3N — CID 171833339

IUPAC1-butan-2-yl-3-(trifluoromethyl)indole
SMILESCCC(C)n1cc(C(F)(F)F)c2ccccc21
InChIInChI=1S/C13H14F3N/c1-3-9(2)17-8-11(13(14,15)16)10-6-4-5-7-12(10)17/h4-9H,3H2,1-2H3
InChIKeySCZIRIUWGHLGHN-UHFFFAOYSA-N
MW241.26 g/mol
LogP4.63
Rot. Bonds2

About 1-butan-2-yl-3-(trifluoromethyl)indole

1-butan-2-yl-3-(trifluoromethyl)indole (PubChem CID 171833339) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 1-butan-2-yl-3-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-butan-2-yl-3-(trifluoromethyl)indole
PubChem CID171833339
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name1-butan-2-yl-3-(trifluoromethyl)indole
SMILESCCC(C)n1cc(C(F)(F)F)c2ccccc21
InChIInChI=1S/C13H14F3N/c1-3-9(2)17-8-11(13(14,15)16)10-6-4-5-7-12(10)17/h4-9H,3H2,1-2H3
InChIKeySCZIRIUWGHLGHN-UHFFFAOYSA-N
XLogP4.63
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(trifluoromethyl)indole?
The IUPAC name of 1-butan-2-yl-3-(trifluoromethyl)indole (CID 171833339) is 1-butan-2-yl-3-(trifluoromethyl)indole.
What is the SMILES notation for 1-butan-2-yl-3-(trifluoromethyl)indole?
The canonical SMILES for 1-butan-2-yl-3-(trifluoromethyl)indole is CCC(C)n1cc(C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-butan-2-yl-3-(trifluoromethyl)indole?
The InChIKey is SCZIRIUWGHLGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c1-3-9(2)17-8-11(13(14,15)16)10-6-4-5-7-12(10)17/h4-9H,3H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-(trifluoromethyl)indole?
1-butan-2-yl-3-(trifluoromethyl)indole has a molecular weight of 241.26 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(trifluoromethyl)indole is sourced from PubChem (CID 171833339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).