3,3-difluoro-1,2-dihydroindene

C9H8F2 — CID 13405901

IUPAC3,3-difluoro-1,2-dihydroindene
SMILESFC1(F)CCc2ccccc21
InChIInChI=1S/C9H8F2/c10-9(11)6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKeyAOOGDRDMPQCKGJ-UHFFFAOYSA-N
MW154.16 g/mol
LogP2.72
Rot. Bonds

About 3,3-difluoro-1,2-dihydroindene

3,3-difluoro-1,2-dihydroindene (PubChem CID 13405901) has the molecular formula C9H8F2 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3,3-difluoro-1,2-dihydroindene.

Molecular Properties

Compound Name3,3-difluoro-1,2-dihydroindene
PubChem CID13405901
Molecular FormulaC9H8F2
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3,3-difluoro-1,2-dihydroindene
SMILESFC1(F)CCc2ccccc21
InChIInChI=1S/C9H8F2/c10-9(11)6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKeyAOOGDRDMPQCKGJ-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,2-dihydroindene?
The IUPAC name of 3,3-difluoro-1,2-dihydroindene (CID 13405901) is 3,3-difluoro-1,2-dihydroindene.
What is the SMILES notation for 3,3-difluoro-1,2-dihydroindene?
The canonical SMILES for 3,3-difluoro-1,2-dihydroindene is FC1(F)CCc2ccccc21.
What is the InChIKey of 3,3-difluoro-1,2-dihydroindene?
The InChIKey is AOOGDRDMPQCKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2/c10-9(11)6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2.
What are the key properties of 3,3-difluoro-1,2-dihydroindene?
3,3-difluoro-1,2-dihydroindene has a molecular weight of 154.16 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,2-dihydroindene is sourced from PubChem (CID 13405901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).