2-methyl-3-methylidene-6-(trifluoromethyl)indole

C11H8F3N — CID 162571881

IUPAC2-methyl-3-methylidene-6-(trifluoromethyl)indole
SMILESC=C1C(C)=Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H8F3N/c1-6-7(2)15-10-5-8(11(12,13)14)3-4-9(6)10/h3-5H,1H2,2H3
InChIKeyWBNLPCWMWRLBLA-UHFFFAOYSA-N
MW211.19 g/mol
LogP3.82
Rot. Bonds

About 2-methyl-3-methylidene-6-(trifluoromethyl)indole

2-methyl-3-methylidene-6-(trifluoromethyl)indole (PubChem CID 162571881) has the molecular formula C11H8F3N and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-methyl-3-methylidene-6-(trifluoromethyl)indole.

Molecular Properties

Compound Name2-methyl-3-methylidene-6-(trifluoromethyl)indole
PubChem CID162571881
Molecular FormulaC11H8F3N
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-methyl-3-methylidene-6-(trifluoromethyl)indole
SMILESC=C1C(C)=Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H8F3N/c1-6-7(2)15-10-5-8(11(12,13)14)3-4-9(6)10/h3-5H,1H2,2H3
InChIKeyWBNLPCWMWRLBLA-UHFFFAOYSA-N
XLogP3.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidene-6-(trifluoromethyl)indole?
The IUPAC name of 2-methyl-3-methylidene-6-(trifluoromethyl)indole (CID 162571881) is 2-methyl-3-methylidene-6-(trifluoromethyl)indole.
What is the SMILES notation for 2-methyl-3-methylidene-6-(trifluoromethyl)indole?
The canonical SMILES for 2-methyl-3-methylidene-6-(trifluoromethyl)indole is C=C1C(C)=Nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-methyl-3-methylidene-6-(trifluoromethyl)indole?
The InChIKey is WBNLPCWMWRLBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N/c1-6-7(2)15-10-5-8(11(12,13)14)3-4-9(6)10/h3-5H,1H2,2H3.
What are the key properties of 2-methyl-3-methylidene-6-(trifluoromethyl)indole?
2-methyl-3-methylidene-6-(trifluoromethyl)indole has a molecular weight of 211.19 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-6-(trifluoromethyl)indole is sourced from PubChem (CID 162571881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).