acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine

C23H25F3N2 — CID 142174161

IUPACacetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine
SMILESC#C.CN(C)Cc1ccccc1.FC(F)(F)c1ccc2c(C3CC3)c[nH]c2c1
InChIInChI=1S/C12H10F3N.C9H13N.C2H2/c13-12(14,15)8-3-4-9-10(7-1-2-7)6-16-11(9)5-8;1-10(2)8-9-6-4-3-5-7-9;1-2/h3-7,16H,1-2H2;3-7H,8H2,1-2H3;1-2H
InChIKeyCVOUFRGGGJOILY-UHFFFAOYSA-N
MW386.46 g/mol
LogP6.06
Rot. Bonds3

About acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine

acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine (PubChem CID 142174161) has the molecular formula C23H25F3N2 and a molecular weight of 386.46 g/mol. Its IUPAC name is acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine.

Molecular Properties

Compound Nameacetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine
PubChem CID142174161
Molecular FormulaC23H25F3N2
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Nameacetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine
SMILESC#C.CN(C)Cc1ccccc1.FC(F)(F)c1ccc2c(C3CC3)c[nH]c2c1
InChIInChI=1S/C12H10F3N.C9H13N.C2H2/c13-12(14,15)8-3-4-9-10(7-1-2-7)6-16-11(9)5-8;1-10(2)8-9-6-4-3-5-7-9;1-2/h3-7,16H,1-2H2;3-7H,8H2,1-2H3;1-2H
InChIKeyCVOUFRGGGJOILY-UHFFFAOYSA-N
XLogP6.06
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine?
The IUPAC name of acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine (CID 142174161) is acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine.
What is the SMILES notation for acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine?
The canonical SMILES for acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine is C#C.CN(C)Cc1ccccc1.FC(F)(F)c1ccc2c(C3CC3)c[nH]c2c1.
What is the InChIKey of acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine?
The InChIKey is CVOUFRGGGJOILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N.C9H13N.C2H2/c13-12(14,15)8-3-4-9-10(7-1-2-7)6-16-11(9)5-8;1-10(2)8-9-6-4-3-5-7-9;1-2/h3-7,16H,1-2H2;3-7H,8H2,1-2H3;1-2H.
What are the key properties of acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine?
acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine has a molecular weight of 386.46 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;3-cyclopropyl-6-(trifluoromethyl)-1H-indole;N,N-dimethyl-1-phenylmethanamine is sourced from PubChem (CID 142174161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).