1-(difluoromethyl)-5-fluoroindole

C9H6F3N — CID 63851656

IUPAC1-(difluoromethyl)-5-fluoroindole
SMILESFc1ccc2c(ccn2C(F)F)c1
InChIInChI=1S/C9H6F3N/c10-7-1-2-8-6(5-7)3-4-13(8)9(11)12/h1-5,9H
InChIKeyRNRNTPFTSUBBEK-UHFFFAOYSA-N
MW185.15 g/mol
LogP3.18
Rot. Bonds1

About 1-(difluoromethyl)-5-fluoroindole

1-(difluoromethyl)-5-fluoroindole (PubChem CID 63851656) has the molecular formula C9H6F3N and a molecular weight of 185.15 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-fluoroindole.

Molecular Properties

Compound Name1-(difluoromethyl)-5-fluoroindole
PubChem CID63851656
Molecular FormulaC9H6F3N
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name1-(difluoromethyl)-5-fluoroindole
SMILESFc1ccc2c(ccn2C(F)F)c1
InChIInChI=1S/C9H6F3N/c10-7-1-2-8-6(5-7)3-4-13(8)9(11)12/h1-5,9H
InChIKeyRNRNTPFTSUBBEK-UHFFFAOYSA-N
XLogP3.18
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(difluoromethyl)-5-fluoroindole 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 1-(difluoromethyl)-5-fluoroindole?
The IUPAC name of 1-(difluoromethyl)-5-fluoroindole (CID 63851656) is 1-(difluoromethyl)-5-fluoroindole.
What is the SMILES notation for 1-(difluoromethyl)-5-fluoroindole?
The canonical SMILES for 1-(difluoromethyl)-5-fluoroindole is Fc1ccc2c(ccn2C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-5-fluoroindole?
The InChIKey is RNRNTPFTSUBBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N/c10-7-1-2-8-6(5-7)3-4-13(8)9(11)12/h1-5,9H.
What are the key properties of 1-(difluoromethyl)-5-fluoroindole?
1-(difluoromethyl)-5-fluoroindole has a molecular weight of 185.15 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-fluoroindole is sourced from PubChem (CID 63851656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).