2,3-difluoro-1H-indene-1-carbonitrile

C10H5F2N — CID 175335845

IUPAC2,3-difluoro-1H-indene-1-carbonitrile
SMILESN#CC1C(F)=C(F)c2ccccc21
InChIInChI=1S/C10H5F2N/c11-9-7-4-2-1-3-6(7)8(5-13)10(9)12/h1-4,8H
InChIKeyHCZFHBCNANNWHU-UHFFFAOYSA-N
MW177.15 g/mol
LogP2.91
Rot. Bonds

About 2,3-difluoro-1H-indene-1-carbonitrile

2,3-difluoro-1H-indene-1-carbonitrile (PubChem CID 175335845) has the molecular formula C10H5F2N and a molecular weight of 177.15 g/mol. Its IUPAC name is 2,3-difluoro-1H-indene-1-carbonitrile.

Molecular Properties

Compound Name2,3-difluoro-1H-indene-1-carbonitrile
PubChem CID175335845
Molecular FormulaC10H5F2N
Molecular Weight177.15 g/mol
Exact Mass177.04
IUPAC Name2,3-difluoro-1H-indene-1-carbonitrile
SMILESN#CC1C(F)=C(F)c2ccccc21
InChIInChI=1S/C10H5F2N/c11-9-7-4-2-1-3-6(7)8(5-13)10(9)12/h1-4,8H
InChIKeyHCZFHBCNANNWHU-UHFFFAOYSA-N
XLogP2.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-difluoro-1H-indene-1-carbonitrile 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 2,3-difluoro-1H-indene-1-carbonitrile?
The IUPAC name of 2,3-difluoro-1H-indene-1-carbonitrile (CID 175335845) is 2,3-difluoro-1H-indene-1-carbonitrile.
What is the SMILES notation for 2,3-difluoro-1H-indene-1-carbonitrile?
The canonical SMILES for 2,3-difluoro-1H-indene-1-carbonitrile is N#CC1C(F)=C(F)c2ccccc21.
What is the InChIKey of 2,3-difluoro-1H-indene-1-carbonitrile?
The InChIKey is HCZFHBCNANNWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2N/c11-9-7-4-2-1-3-6(7)8(5-13)10(9)12/h1-4,8H.
What are the key properties of 2,3-difluoro-1H-indene-1-carbonitrile?
2,3-difluoro-1H-indene-1-carbonitrile has a molecular weight of 177.15 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1H-indene-1-carbonitrile is sourced from PubChem (CID 175335845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).