ethane;2-methyl-6-(trifluoromethyl)-3H-indole

C12H14F3N — CID 144710550

IUPACethane;2-methyl-6-(trifluoromethyl)-3H-indole
SMILESCC.CC1=Nc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C10H8F3N.C2H6/c1-6-4-7-2-3-8(10(11,12)13)5-9(7)14-6;1-2/h2-3,5H,4H2,1H3;1-2H3
InChIKeyAZRSLFUWYYCTBV-UHFFFAOYSA-N
MW229.25 g/mol
LogP4.38
Rot. Bonds

About ethane;2-methyl-6-(trifluoromethyl)-3H-indole

ethane;2-methyl-6-(trifluoromethyl)-3H-indole (PubChem CID 144710550) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is ethane;2-methyl-6-(trifluoromethyl)-3H-indole.

Molecular Properties

Compound Nameethane;2-methyl-6-(trifluoromethyl)-3H-indole
PubChem CID144710550
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Nameethane;2-methyl-6-(trifluoromethyl)-3H-indole
SMILESCC.CC1=Nc2cc(C(F)(F)F)ccc2C1
InChIInChI=1S/C10H8F3N.C2H6/c1-6-4-7-2-3-8(10(11,12)13)5-9(7)14-6;1-2/h2-3,5H,4H2,1H3;1-2H3
InChIKeyAZRSLFUWYYCTBV-UHFFFAOYSA-N
XLogP4.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(trifluoromethyl)-3H-indole?
The IUPAC name of ethane;2-methyl-6-(trifluoromethyl)-3H-indole (CID 144710550) is ethane;2-methyl-6-(trifluoromethyl)-3H-indole.
What is the SMILES notation for ethane;2-methyl-6-(trifluoromethyl)-3H-indole?
The canonical SMILES for ethane;2-methyl-6-(trifluoromethyl)-3H-indole is CC.CC1=Nc2cc(C(F)(F)F)ccc2C1.
What is the InChIKey of ethane;2-methyl-6-(trifluoromethyl)-3H-indole?
The InChIKey is AZRSLFUWYYCTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N.C2H6/c1-6-4-7-2-3-8(10(11,12)13)5-9(7)14-6;1-2/h2-3,5H,4H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-6-(trifluoromethyl)-3H-indole?
ethane;2-methyl-6-(trifluoromethyl)-3H-indole has a molecular weight of 229.25 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(trifluoromethyl)-3H-indole is sourced from PubChem (CID 144710550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).