4-propan-2-yl-6-(trifluoromethyl)-1H-indole

C12H12F3N — CID 58507761

IUPAC4-propan-2-yl-6-(trifluoromethyl)-1H-indole
SMILESCC(C)c1cc(C(F)(F)F)cc2[nH]ccc12
InChIInChI=1S/C12H12F3N/c1-7(2)10-5-8(12(13,14)15)6-11-9(10)3-4-16-11/h3-7,16H,1-2H3
InChIKeyIBTHKBUZGKTVAR-UHFFFAOYSA-N
MW227.23 g/mol
LogP4.31
Rot. Bonds1

About 4-propan-2-yl-6-(trifluoromethyl)-1H-indole

4-propan-2-yl-6-(trifluoromethyl)-1H-indole (PubChem CID 58507761) has the molecular formula C12H12F3N and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-propan-2-yl-6-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name4-propan-2-yl-6-(trifluoromethyl)-1H-indole
PubChem CID58507761
Molecular FormulaC12H12F3N
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name4-propan-2-yl-6-(trifluoromethyl)-1H-indole
SMILESCC(C)c1cc(C(F)(F)F)cc2[nH]ccc12
InChIInChI=1S/C12H12F3N/c1-7(2)10-5-8(12(13,14)15)6-11-9(10)3-4-16-11/h3-7,16H,1-2H3
InChIKeyIBTHKBUZGKTVAR-UHFFFAOYSA-N
XLogP4.31
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6-(trifluoromethyl)-1H-indole?
The IUPAC name of 4-propan-2-yl-6-(trifluoromethyl)-1H-indole (CID 58507761) is 4-propan-2-yl-6-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 4-propan-2-yl-6-(trifluoromethyl)-1H-indole?
The canonical SMILES for 4-propan-2-yl-6-(trifluoromethyl)-1H-indole is CC(C)c1cc(C(F)(F)F)cc2[nH]ccc12.
What is the InChIKey of 4-propan-2-yl-6-(trifluoromethyl)-1H-indole?
The InChIKey is IBTHKBUZGKTVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N/c1-7(2)10-5-8(12(13,14)15)6-11-9(10)3-4-16-11/h3-7,16H,1-2H3.
What are the key properties of 4-propan-2-yl-6-(trifluoromethyl)-1H-indole?
4-propan-2-yl-6-(trifluoromethyl)-1H-indole has a molecular weight of 227.23 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 58507761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).