1-(3,3,3-trifluoropropyl)indole-4-carbonitrile

C12H9F3N2 — CID 107918977

IUPAC1-(3,3,3-trifluoropropyl)indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCC(F)(F)F
InChIInChI=1S/C12H9F3N2/c13-12(14,15)5-7-17-6-4-10-9(8-16)2-1-3-11(10)17/h1-4,6H,5,7H2
InChIKeyCUPRXCXSVZCSGA-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.47
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)indole-4-carbonitrile

1-(3,3,3-trifluoropropyl)indole-4-carbonitrile (PubChem CID 107918977) has the molecular formula C12H9F3N2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)indole-4-carbonitrile.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)indole-4-carbonitrile
PubChem CID107918977
Molecular FormulaC12H9F3N2
Molecular Weight238.21 g/mol
Exact Mass238.07
IUPAC Name1-(3,3,3-trifluoropropyl)indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCC(F)(F)F
InChIInChI=1S/C12H9F3N2/c13-12(14,15)5-7-17-6-4-10-9(8-16)2-1-3-11(10)17/h1-4,6H,5,7H2
InChIKeyCUPRXCXSVZCSGA-UHFFFAOYSA-N
XLogP3.47
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,3,3-trifluoropropyl)indole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(trifluoromethoxy)ethyl]indole-4-carbonitrile
CID 114015820
1-(2-aminoethyl)indole-4-carbonitrile
CID 103846349
1-(4-aminobutyl)indole-4-carbonitrile
CID 107918909
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
1-(3-hydroxybutyl)indole-4-carbonitrile
CID 107918979
1-pent-4-ynylindole-4-carbonitrile
CID 107918825
[1-(3,3,3-trifluoropropyl)indol-4-yl]methanol
CID 64566330
1-(3-phenylpropyl)indole-4-carbonitrile
CID 107918950
1-(3-methylbut-3-enyl)indole-4-carbonitrile
CID 107919182
1-(4-phenylbutyl)indole-4-carbonitrile
CID 107919078
1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile
CID 107918855
2-(4-cyanoindol-1-yl)acetic acid
CID 28947083

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)indole-4-carbonitrile?
The IUPAC name of 1-(3,3,3-trifluoropropyl)indole-4-carbonitrile (CID 107918977) is 1-(3,3,3-trifluoropropyl)indole-4-carbonitrile.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)indole-4-carbonitrile?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)indole-4-carbonitrile is N#Cc1cccc2c1ccn2CCC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)indole-4-carbonitrile?
The InChIKey is CUPRXCXSVZCSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2/c13-12(14,15)5-7-17-6-4-10-9(8-16)2-1-3-11(10)17/h1-4,6H,5,7H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)indole-4-carbonitrile?
1-(3,3,3-trifluoropropyl)indole-4-carbonitrile has a molecular weight of 238.21 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)indole-4-carbonitrile is sourced from PubChem (CID 107918977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).