1-cyclopropyl-3-(trifluoromethyl)indole

C12H10F3N — CID 130220200

IUPAC1-cyclopropyl-3-(trifluoromethyl)indole
SMILESFC(F)(F)c1cn(C2CC2)c2ccccc12
InChIInChI=1S/C12H10F3N/c13-12(14,15)10-7-16(8-5-6-8)11-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2
InChIKeyMHZCPDMPOGWCGE-UHFFFAOYSA-N
MW225.21 g/mol
LogP3.99
Rot. Bonds1

About 1-cyclopropyl-3-(trifluoromethyl)indole

1-cyclopropyl-3-(trifluoromethyl)indole (PubChem CID 130220200) has the molecular formula C12H10F3N and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-cyclopropyl-3-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-cyclopropyl-3-(trifluoromethyl)indole
PubChem CID130220200
Molecular FormulaC12H10F3N
Molecular Weight225.21 g/mol
Exact Mass225.08
IUPAC Name1-cyclopropyl-3-(trifluoromethyl)indole
SMILESFC(F)(F)c1cn(C2CC2)c2ccccc12
InChIInChI=1S/C12H10F3N/c13-12(14,15)10-7-16(8-5-6-8)11-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2
InChIKeyMHZCPDMPOGWCGE-UHFFFAOYSA-N
XLogP3.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(trifluoromethyl)indole?
The IUPAC name of 1-cyclopropyl-3-(trifluoromethyl)indole (CID 130220200) is 1-cyclopropyl-3-(trifluoromethyl)indole.
What is the SMILES notation for 1-cyclopropyl-3-(trifluoromethyl)indole?
The canonical SMILES for 1-cyclopropyl-3-(trifluoromethyl)indole is FC(F)(F)c1cn(C2CC2)c2ccccc12.
What is the InChIKey of 1-cyclopropyl-3-(trifluoromethyl)indole?
The InChIKey is MHZCPDMPOGWCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N/c13-12(14,15)10-7-16(8-5-6-8)11-4-2-1-3-9(10)11/h1-4,7-8H,5-6H2.
What are the key properties of 1-cyclopropyl-3-(trifluoromethyl)indole?
1-cyclopropyl-3-(trifluoromethyl)indole has a molecular weight of 225.21 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(trifluoromethyl)indole is sourced from PubChem (CID 130220200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).