3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole

C18H14F3N — CID 24874145

IUPAC3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole
SMILESFC(F)(F)c1ccc(/C=C/Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H14F3N/c19-18(20,21)15-10-8-13(9-11-15)4-3-5-14-12-22-17-7-2-1-6-16(14)17/h1-4,6-12,22H,5H2/b4-3+
InChIKeyGCOXNLGXUMKVCO-ONEGZZNKSA-N
MW301.31 g/mol
LogP5.44
Rot. Bonds3

About 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole

3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole (PubChem CID 24874145) has the molecular formula C18H14F3N and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole.

Molecular Properties

Compound Name3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole
PubChem CID24874145
Molecular FormulaC18H14F3N
Molecular Weight301.31 g/mol
Exact Mass301.11
IUPAC Name3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole
SMILESFC(F)(F)c1ccc(/C=C/Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H14F3N/c19-18(20,21)15-10-8-13(9-11-15)4-3-5-14-12-22-17-7-2-1-6-16(14)17/h1-4,6-12,22H,5H2/b4-3+
InChIKeyGCOXNLGXUMKVCO-ONEGZZNKSA-N
XLogP5.44
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.31
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

N-(1H-indol-4-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 176731995
4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]benzamide
CID 155569054
CID 135044640
CID 135044640
4-(1H-indol-3-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 24544360
3-(1H-indol-3-yl)prop-1-en-1-one
CID 57177876
N-[2-[4-(1H-indol-3-yl)butanoylamino]ethyl]-4-(trifluoromethyl)benzamide
CID 55545954
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112993932
3-(1H-indol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 68812625
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
CID 54050405
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole?
The IUPAC name of 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole (CID 24874145) is 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole.
What is the SMILES notation for 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole?
The canonical SMILES for 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole is FC(F)(F)c1ccc(/C=C/Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole?
The InChIKey is GCOXNLGXUMKVCO-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H14F3N/c19-18(20,21)15-10-8-13(9-11-15)4-3-5-14-12-22-17-7-2-1-6-16(14)17/h1-4,6-12,22H,5H2/b4-3+.
What are the key properties of 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole?
3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole has a molecular weight of 301.31 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]-1H-indole is sourced from PubChem (CID 24874145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).