(3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole

C12H12F3N — CID 162619413

IUPAC(3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole
SMILESCC[C@H]1C(C)=Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H12F3N/c1-3-9-7(2)16-11-6-8(12(13,14)15)4-5-10(9)11/h4-6,9H,3H2,1-2H3/t9-/m0/s1
InChIKeyNRCCCWPWODCAFA-VIFPVBQESA-N
MW227.23 g/mol
LogP4.30
Rot. Bonds1

About (3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole

(3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole (PubChem CID 162619413) has the molecular formula C12H12F3N and a molecular weight of 227.23 g/mol. Its IUPAC name is (3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole.

Molecular Properties

Compound Name(3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole
PubChem CID162619413
Molecular FormulaC12H12F3N
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name(3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole
SMILESCC[C@H]1C(C)=Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H12F3N/c1-3-9-7(2)16-11-6-8(12(13,14)15)4-5-10(9)11/h4-6,9H,3H2,1-2H3/t9-/m0/s1
InChIKeyNRCCCWPWODCAFA-VIFPVBQESA-N
XLogP4.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole?
The IUPAC name of (3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole (CID 162619413) is (3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole.
What is the SMILES notation for (3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole?
The canonical SMILES for (3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole is CC[C@H]1C(C)=Nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of (3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole?
The InChIKey is NRCCCWPWODCAFA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12F3N/c1-3-9-7(2)16-11-6-8(12(13,14)15)4-5-10(9)11/h4-6,9H,3H2,1-2H3/t9-/m0/s1.
What are the key properties of (3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole?
(3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole has a molecular weight of 227.23 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-2-methyl-6-(trifluoromethyl)-3H-indole is sourced from PubChem (CID 162619413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).