3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene

C11H10F4 — CID 59340809

IUPAC3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene
SMILESCc1cc2c(c(F)c1F)C(F)(F)C(C)C2
InChIInChI=1S/C11H10F4/c1-5-3-7-4-6(2)11(14,15)8(7)10(13)9(5)12/h3,6H,4H2,1-2H3
InChIKeyKWIBVFGGJBYGJA-UHFFFAOYSA-N
MW218.19 g/mol
LogP3.56
Rot. Bonds

About 3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene

3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene (PubChem CID 59340809) has the molecular formula C11H10F4 and a molecular weight of 218.19 g/mol. Its IUPAC name is 3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene
PubChem CID59340809
Molecular FormulaC11H10F4
Molecular Weight218.19 g/mol
Exact Mass218.07
IUPAC Name3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene
SMILESCc1cc2c(c(F)c1F)C(F)(F)C(C)C2
InChIInChI=1S/C11H10F4/c1-5-3-7-4-6(2)11(14,15)8(7)10(13)9(5)12/h3,6H,4H2,1-2H3
InChIKeyKWIBVFGGJBYGJA-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene?
The IUPAC name of 3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene (CID 59340809) is 3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene.
What is the SMILES notation for 3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene?
The canonical SMILES for 3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene is Cc1cc2c(c(F)c1F)C(F)(F)C(C)C2.
What is the InChIKey of 3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene?
The InChIKey is KWIBVFGGJBYGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4/c1-5-3-7-4-6(2)11(14,15)8(7)10(13)9(5)12/h3,6H,4H2,1-2H3.
What are the key properties of 3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene?
3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene has a molecular weight of 218.19 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene is sourced from PubChem (CID 59340809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).