1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole

C14H18F3N — CID 175173541

IUPAC1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole
SMILESCN1c2ccccc2C(C)(CC(F)(F)F)C1(C)C
InChIInChI=1S/C14H18F3N/c1-12(2)13(3,9-14(15,16)17)10-7-5-6-8-11(10)18(12)4/h5-8H,9H2,1-4H3
InChIKeyGFGMKEMPHLSAEH-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.13
Rot. Bonds1

About 1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole

1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole (PubChem CID 175173541) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole
PubChem CID175173541
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole
SMILESCN1c2ccccc2C(C)(CC(F)(F)F)C1(C)C
InChIInChI=1S/C14H18F3N/c1-12(2)13(3,9-14(15,16)17)10-7-5-6-8-11(10)18(12)4/h5-8H,9H2,1-4H3
InChIKeyGFGMKEMPHLSAEH-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 102133533
5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline
CID 137489995
1,3-dimethyl-3-(2,2,2-trifluoroethyl)quinoline-2,4-dione
CID 132534451
3,3-dimethyl-1-(2,2,2-trifluoroethyl)indol-2-one;ethane
CID 157034638
9,9,10-trimethylacridine
CID 610451
1'-(3,3,3-trifluoropropyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 157033735
5,6,6-trimethylphenanthridine
CID 153320066
2-hydroxy-1,3,3-trimethylindole-2-carbaldehyde
CID 175078685
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
4-ethyl-3,4-dimethyl-1-phenyl-3-(2,2,2-trifluoroethyl)isoquinoline
CID 167440956
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
(3aS,8bS)-3,4,8b-trimethyl-1,2-dihydropyrrolo[2,3-b]indol-3a-ol
CID 54468713

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole?
The IUPAC name of 1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole (CID 175173541) is 1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole.
What is the SMILES notation for 1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole?
The canonical SMILES for 1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole is CN1c2ccccc2C(C)(CC(F)(F)F)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole?
The InChIKey is GFGMKEMPHLSAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-12(2)13(3,9-14(15,16)17)10-7-5-6-8-11(10)18(12)4/h5-8H,9H2,1-4H3.
What are the key properties of 1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole?
1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole has a molecular weight of 257.30 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethyl-3-(2,2,2-trifluoroethyl)indole is sourced from PubChem (CID 175173541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).