2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile

C17H13F2N — CID 82935570

IUPAC2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(Cc2ccc(F)c(F)c2)Cc2ccccc2C1
InChIInChI=1S/C17H13F2N/c18-15-6-5-12(7-16(15)19)8-17(11-20)9-13-3-1-2-4-14(13)10-17/h1-7H,8-10H2
InChIKeyZNDOAIZFGLDKJJ-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.82
Rot. Bonds2

About 2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile

2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile (PubChem CID 82935570) has the molecular formula C17H13F2N and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile
PubChem CID82935570
Molecular FormulaC17H13F2N
Molecular Weight269.29 g/mol
Exact Mass269.10
IUPAC Name2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESN#CC1(Cc2ccc(F)c(F)c2)Cc2ccccc2C1
InChIInChI=1S/C17H13F2N/c18-15-6-5-12(7-16(15)19)8-17(11-20)9-13-3-1-2-4-14(13)10-17/h1-7H,8-10H2
InChIKeyZNDOAIZFGLDKJJ-UHFFFAOYSA-N
XLogP3.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile (CID 82935570) is 2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile is N#CC1(Cc2ccc(F)c(F)c2)Cc2ccccc2C1.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile?
The InChIKey is ZNDOAIZFGLDKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N/c18-15-6-5-12(7-16(15)19)8-17(11-20)9-13-3-1-2-4-14(13)10-17/h1-7H,8-10H2.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile?
2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile has a molecular weight of 269.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 82935570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).