3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene

C22H19F7 — CID 138718579

IUPAC3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene
SMILESCc1cc2c(c(F)c1F)C(F)(F)C(CCc1cc(F)c3c(c1)CC(C)C3(F)F)C2
InChIInChI=1S/C22H19F7/c1-10-5-13-9-15(22(28,29)18(13)20(25)19(10)24)4-3-12-7-14-6-11(2)21(26,27)17(14)16(23)8-12/h5,7-8,11,15H,3-4,6,9H2,1-2H3
InChIKeyDHCUTDMYSSZHDJ-UHFFFAOYSA-N
MW416.38 g/mol
LogP6.59
Rot. Bonds3

About 3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene

3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene (PubChem CID 138718579) has the molecular formula C22H19F7 and a molecular weight of 416.38 g/mol. Its IUPAC name is 3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene.

Molecular Properties

Compound Name3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene
PubChem CID138718579
Molecular FormulaC22H19F7
Molecular Weight416.38 g/mol
Exact Mass416.14
IUPAC Name3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene
SMILESCc1cc2c(c(F)c1F)C(F)(F)C(CCc1cc(F)c3c(c1)CC(C)C3(F)F)C2
InChIInChI=1S/C22H19F7/c1-10-5-13-9-15(22(28,29)18(13)20(25)19(10)24)4-3-12-7-14-6-11(2)21(26,27)17(14)16(23)8-12/h5,7-8,11,15H,3-4,6,9H2,1-2H3
InChIKeyDHCUTDMYSSZHDJ-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.38
LogP ≤ 56.59
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-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene?
The IUPAC name of 3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene (CID 138718579) is 3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene.
What is the SMILES notation for 3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene?
The canonical SMILES for 3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene is Cc1cc2c(c(F)c1F)C(F)(F)C(CCc1cc(F)c3c(c1)CC(C)C3(F)F)C2.
What is the InChIKey of 3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene?
The InChIKey is DHCUTDMYSSZHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F7/c1-10-5-13-9-15(22(28,29)18(13)20(25)19(10)24)4-3-12-7-14-6-11(2)21(26,27)17(14)16(23)8-12/h5,7-8,11,15H,3-4,6,9H2,1-2H3.
What are the key properties of 3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene?
3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene has a molecular weight of 416.38 g/mol, XLogP of 6.59, 3 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-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene is sourced from PubChem (CID 138718579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).