3-(3,4-difluorophenyl)-1H-indene

C15H10F2 — CID 90234204

IUPAC3-(3,4-difluorophenyl)-1H-indene
SMILESFc1ccc(C2=CCc3ccccc32)cc1F
InChIInChI=1S/C15H10F2/c16-14-8-6-11(9-15(14)17)13-7-5-10-3-1-2-4-12(10)13/h1-4,6-9H,5H2
InChIKeyXNWMZKQBMTZHRY-UHFFFAOYSA-N
MW228.24 g/mol
LogP3.95
Rot. Bonds1

About 3-(3,4-difluorophenyl)-1H-indene

3-(3,4-difluorophenyl)-1H-indene (PubChem CID 90234204) has the molecular formula C15H10F2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-1H-indene.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-1H-indene
PubChem CID90234204
Molecular FormulaC15H10F2
Molecular Weight228.24 g/mol
Exact Mass228.08
IUPAC Name3-(3,4-difluorophenyl)-1H-indene
SMILESFc1ccc(C2=CCc3ccccc32)cc1F
InChIInChI=1S/C15H10F2/c16-14-8-6-11(9-15(14)17)13-7-5-10-3-1-2-4-12(10)13/h1-4,6-9H,5H2
InChIKeyXNWMZKQBMTZHRY-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-1H-indene?
The IUPAC name of 3-(3,4-difluorophenyl)-1H-indene (CID 90234204) is 3-(3,4-difluorophenyl)-1H-indene.
What is the SMILES notation for 3-(3,4-difluorophenyl)-1H-indene?
The canonical SMILES for 3-(3,4-difluorophenyl)-1H-indene is Fc1ccc(C2=CCc3ccccc32)cc1F.
What is the InChIKey of 3-(3,4-difluorophenyl)-1H-indene?
The InChIKey is XNWMZKQBMTZHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2/c16-14-8-6-11(9-15(14)17)13-7-5-10-3-1-2-4-12(10)13/h1-4,6-9H,5H2.
What are the key properties of 3-(3,4-difluorophenyl)-1H-indene?
3-(3,4-difluorophenyl)-1H-indene has a molecular weight of 228.24 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-1H-indene is sourced from PubChem (CID 90234204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).