4-(1,1-difluoroethyl)-1H-indole

C10H9F2N — CID 145206515

IUPAC4-(1,1-difluoroethyl)-1H-indole
SMILESCC(F)(F)c1cccc2[nH]ccc12
InChIInChI=1S/C10H9F2N/c1-10(11,12)8-3-2-4-9-7(8)5-6-13-9/h2-6,13H,1H3
InChIKeyJIYZUSDUFQNBPM-UHFFFAOYSA-N
MW181.19 g/mol
LogP3.28
Rot. Bonds1

About 4-(1,1-difluoroethyl)-1H-indole

4-(1,1-difluoroethyl)-1H-indole (PubChem CID 145206515) has the molecular formula C10H9F2N and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-1H-indole.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-1H-indole
PubChem CID145206515
Molecular FormulaC10H9F2N
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-(1,1-difluoroethyl)-1H-indole
SMILESCC(F)(F)c1cccc2[nH]ccc12
InChIInChI=1S/C10H9F2N/c1-10(11,12)8-3-2-4-9-7(8)5-6-13-9/h2-6,13H,1H3
InChIKeyJIYZUSDUFQNBPM-UHFFFAOYSA-N
XLogP3.28
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-1H-indole?
The IUPAC name of 4-(1,1-difluoroethyl)-1H-indole (CID 145206515) is 4-(1,1-difluoroethyl)-1H-indole.
What is the SMILES notation for 4-(1,1-difluoroethyl)-1H-indole?
The canonical SMILES for 4-(1,1-difluoroethyl)-1H-indole is CC(F)(F)c1cccc2[nH]ccc12.
What is the InChIKey of 4-(1,1-difluoroethyl)-1H-indole?
The InChIKey is JIYZUSDUFQNBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N/c1-10(11,12)8-3-2-4-9-7(8)5-6-13-9/h2-6,13H,1H3.
What are the key properties of 4-(1,1-difluoroethyl)-1H-indole?
4-(1,1-difluoroethyl)-1H-indole has a molecular weight of 181.19 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-1H-indole is sourced from PubChem (CID 145206515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).