4-[difluoro-(2-fluorophenyl)methyl]-1H-indole

C15H10F3N — CID 174406856

IUPAC4-[difluoro-(2-fluorophenyl)methyl]-1H-indole
SMILESFc1ccccc1C(F)(F)c1cccc2[nH]ccc12
InChIInChI=1S/C15H10F3N/c16-13-6-2-1-4-12(13)15(17,18)11-5-3-7-14-10(11)8-9-19-14/h1-9,19H
InChIKeyAPAKSQNZRGTWQX-UHFFFAOYSA-N
MW261.25 g/mol
LogP4.45
Rot. Bonds2

About 4-[difluoro-(2-fluorophenyl)methyl]-1H-indole

4-[difluoro-(2-fluorophenyl)methyl]-1H-indole (PubChem CID 174406856) has the molecular formula C15H10F3N and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-[difluoro-(2-fluorophenyl)methyl]-1H-indole.

Molecular Properties

Compound Name4-[difluoro-(2-fluorophenyl)methyl]-1H-indole
PubChem CID174406856
Molecular FormulaC15H10F3N
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name4-[difluoro-(2-fluorophenyl)methyl]-1H-indole
SMILESFc1ccccc1C(F)(F)c1cccc2[nH]ccc12
InChIInChI=1S/C15H10F3N/c16-13-6-2-1-4-12(13)15(17,18)11-5-3-7-14-10(11)8-9-19-14/h1-9,19H
InChIKeyAPAKSQNZRGTWQX-UHFFFAOYSA-N
XLogP4.45
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[difluoro-(2-fluorophenyl)methyl]-1H-indole?
The IUPAC name of 4-[difluoro-(2-fluorophenyl)methyl]-1H-indole (CID 174406856) is 4-[difluoro-(2-fluorophenyl)methyl]-1H-indole.
What is the SMILES notation for 4-[difluoro-(2-fluorophenyl)methyl]-1H-indole?
The canonical SMILES for 4-[difluoro-(2-fluorophenyl)methyl]-1H-indole is Fc1ccccc1C(F)(F)c1cccc2[nH]ccc12.
What is the InChIKey of 4-[difluoro-(2-fluorophenyl)methyl]-1H-indole?
The InChIKey is APAKSQNZRGTWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N/c16-13-6-2-1-4-12(13)15(17,18)11-5-3-7-14-10(11)8-9-19-14/h1-9,19H.
What are the key properties of 4-[difluoro-(2-fluorophenyl)methyl]-1H-indole?
4-[difluoro-(2-fluorophenyl)methyl]-1H-indole has a molecular weight of 261.25 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro-(2-fluorophenyl)methyl]-1H-indole is sourced from PubChem (CID 174406856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).