2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole

C17H12F3N — CID 175311793

IUPAC2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1ccc2cc(C=Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C17H12F3N/c18-17(19,20)14-8-7-13-10-15(21-16(13)11-14)9-6-12-4-2-1-3-5-12/h1-11,21H
InChIKeyNIOIFUJSBORFHA-UHFFFAOYSA-N
MW287.28 g/mol
LogP5.36
Rot. Bonds2

About 2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole

2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole (PubChem CID 175311793) has the molecular formula C17H12F3N and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole
PubChem CID175311793
Molecular FormulaC17H12F3N
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole
SMILESFC(F)(F)c1ccc2cc(C=Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C17H12F3N/c18-17(19,20)14-8-7-13-10-15(21-16(13)11-14)9-6-12-4-2-1-3-5-12/h1-11,21H
InChIKeyNIOIFUJSBORFHA-UHFFFAOYSA-N
XLogP5.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.28
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
6-(trifluoromethyl)-1H-indol-2-ol
CID 57315070
2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole
CID 102597288
2-[(E)-2-pyridin-3-ylethenyl]-1H-indole
CID 15012698
ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
CID 143581960
2-methyl-2-[6-(trifluoromethyl)-1H-indol-2-yl]propanoic acid
CID 117195778
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
4-chloro-2-[(E)-2-phenylethenyl]-1H-indole
CID 118657841
2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456026
2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene
CID 171364975
6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one
CID 10084242
4,6-bis(2-phenylethenyl)-1H-pyrimidin-2-one
CID 2959542

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole (CID 175311793) is 2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole is FC(F)(F)c1ccc2cc(C=Cc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole?
The InChIKey is NIOIFUJSBORFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N/c18-17(19,20)14-8-7-13-10-15(21-16(13)11-14)9-6-12-4-2-1-3-5-12/h1-11,21H.
What are the key properties of 2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole?
2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole has a molecular weight of 287.28 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-6-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 175311793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).