2-(1,1-difluoroethyl)-1H-indol-6-amine

C10H10F2N2 — CID 84666688

IUPAC2-(1,1-difluoroethyl)-1H-indol-6-amine
SMILESCC(F)(F)c1cc2ccc(N)cc2[nH]1
InChIInChI=1S/C10H10F2N2/c1-10(11,12)9-4-6-2-3-7(13)5-8(6)14-9/h2-5,14H,13H2,1H3
InChIKeyVLLUFDWGSZYKFZ-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.86
Rot. Bonds1

About 2-(1,1-difluoroethyl)-1H-indol-6-amine

2-(1,1-difluoroethyl)-1H-indol-6-amine (PubChem CID 84666688) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1H-indol-6-amine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1H-indol-6-amine
PubChem CID84666688
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name2-(1,1-difluoroethyl)-1H-indol-6-amine
SMILESCC(F)(F)c1cc2ccc(N)cc2[nH]1
InChIInChI=1S/C10H10F2N2/c1-10(11,12)9-4-6-2-3-7(13)5-8(6)14-9/h2-5,14H,13H2,1H3
InChIKeyVLLUFDWGSZYKFZ-UHFFFAOYSA-N
XLogP2.86
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1H-indol-6-amine?
The IUPAC name of 2-(1,1-difluoroethyl)-1H-indol-6-amine (CID 84666688) is 2-(1,1-difluoroethyl)-1H-indol-6-amine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1H-indol-6-amine?
The canonical SMILES for 2-(1,1-difluoroethyl)-1H-indol-6-amine is CC(F)(F)c1cc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-(1,1-difluoroethyl)-1H-indol-6-amine?
The InChIKey is VLLUFDWGSZYKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-10(11,12)9-4-6-2-3-7(13)5-8(6)14-9/h2-5,14H,13H2,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-1H-indol-6-amine?
2-(1,1-difluoroethyl)-1H-indol-6-amine has a molecular weight of 196.20 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1H-indol-6-amine is sourced from PubChem (CID 84666688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).