1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole

C13H14F3N — CID 11543250

IUPAC1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole
SMILESC=C1N(C)c2ccc(C(F)(F)F)cc2C1(C)C
InChIInChI=1S/C13H14F3N/c1-8-12(2,3)10-7-9(13(14,15)16)5-6-11(10)17(8)4/h5-7H,1H2,2-4H3
InChIKeyPNNXTZJILDAJAQ-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.95
Rot. Bonds

About 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole

1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole (PubChem CID 11543250) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole
PubChem CID11543250
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole
SMILESC=C1N(C)c2ccc(C(F)(F)F)cc2C1(C)C
InChIInChI=1S/C13H14F3N/c1-8-12(2,3)10-7-9(13(14,15)16)5-6-11(10)17(8)4/h5-7H,1H2,2-4H3
InChIKeyPNNXTZJILDAJAQ-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole?
The IUPAC name of 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole (CID 11543250) is 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole.
What is the SMILES notation for 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole?
The canonical SMILES for 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole is C=C1N(C)c2ccc(C(F)(F)F)cc2C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole?
The InChIKey is PNNXTZJILDAJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c1-8-12(2,3)10-7-9(13(14,15)16)5-6-11(10)17(8)4/h5-7H,1H2,2-4H3.
What are the key properties of 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole?
1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole has a molecular weight of 241.26 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-methylidene-5-(trifluoromethyl)indole is sourced from PubChem (CID 11543250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).