2,2-difluoroindole;ethane

C10H11F2N — CID 161017715

IUPAC2,2-difluoroindole;ethane
SMILESCC.FC1(F)C=c2ccccc2=N1
InChIInChI=1S/C8H5F2N.C2H6/c9-8(10)5-6-3-1-2-4-7(6)11-8;1-2/h1-5H;1-2H3
InChIKeyTXYGBACZKCMUNV-UHFFFAOYSA-N
MW183.20 g/mol
LogP1.72
Rot. Bonds

About 2,2-difluoroindole;ethane

2,2-difluoroindole;ethane (PubChem CID 161017715) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 2,2-difluoroindole;ethane.

Molecular Properties

Compound Name2,2-difluoroindole;ethane
PubChem CID161017715
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name2,2-difluoroindole;ethane
SMILESCC.FC1(F)C=c2ccccc2=N1
InChIInChI=1S/C8H5F2N.C2H6/c9-8(10)5-6-3-1-2-4-7(6)11-8;1-2/h1-5H;1-2H3
InChIKeyTXYGBACZKCMUNV-UHFFFAOYSA-N
XLogP1.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroindole;ethane?
The IUPAC name of 2,2-difluoroindole;ethane (CID 161017715) is 2,2-difluoroindole;ethane.
What is the SMILES notation for 2,2-difluoroindole;ethane?
The canonical SMILES for 2,2-difluoroindole;ethane is CC.FC1(F)C=c2ccccc2=N1.
What is the InChIKey of 2,2-difluoroindole;ethane?
The InChIKey is TXYGBACZKCMUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N.C2H6/c9-8(10)5-6-3-1-2-4-7(6)11-8;1-2/h1-5H;1-2H3.
What are the key properties of 2,2-difluoroindole;ethane?
2,2-difluoroindole;ethane has a molecular weight of 183.20 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroindole;ethane is sourced from PubChem (CID 161017715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).