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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Related Compounds

5,12,12-trimethyl-2-(trifluoromethyl)quinolino[2,3-b]quinoxalin-9-amine
CID 164580396
1,3-dimethyl-3-(nitromethyl)-5-(trifluoromethyl)indol-2-one
CID 102357531
3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-1,3-dimethyl-5-(trifluoromethyl)indol-2-one
CID 102140967
1,1'-dimethyl-5-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]
CID 70927045
(2E)-2-[(2Z,4E)-3-chloro-5-[1,3,3-trimethyl-5-(trifluoromethyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-1,3,3-trimethyl-5-(trifluoromethyl)indole iodide
CID 162534589
tetrakis(4-methoxyphenyl)boranuide;(2E)-1,3,3-trimethyl-5-(trifluoromethyl)-2-[(E)-3-[1,3,3-trimethyl-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]indole
CID 11766358
3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 44603962
8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
CID 59002165
3-(5-tert-butyl-1,3-dimethyl-2-oxoindol-3-yl)-2,2-dimethylpropanenitrile
CID 132558232
3-(4-chloro-2-hydroxyphenyl)-3-hydroxy-1-methyl-6-(trifluoromethyl)indol-2-one
CID 102119601
4-amino-1-methyl-6-(trifluoromethyl)-2,3-dihydroquinoline-4-carboxylic acid
CID 82626109
3-[(3,5-difluorophenyl)methyl]-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]indol-2-one
CID 25255391

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).