6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene

C9H14F2 — CID 45090704

IUPAC6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene
SMILESFC1(F)CCC2CCCC2C1
InChIInChI=1S/C9H14F2/c10-9(11)5-4-7-2-1-3-8(7)6-9/h7-8H,1-6H2
InChIKeyZSPDGLKQSHZRBI-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.22
Rot. Bonds

About 6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene

6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene (PubChem CID 45090704) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene.

Molecular Properties

Compound Name6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene
PubChem CID45090704
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene
SMILESFC1(F)CCC2CCCC2C1
InChIInChI=1S/C9H14F2/c10-9(11)5-4-7-2-1-3-8(7)6-9/h7-8H,1-6H2
InChIKeyZSPDGLKQSHZRBI-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene?
The IUPAC name of 6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene (CID 45090704) is 6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene.
What is the SMILES notation for 6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene?
The canonical SMILES for 6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene is FC1(F)CCC2CCCC2C1.
What is the InChIKey of 6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene?
The InChIKey is ZSPDGLKQSHZRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c10-9(11)5-4-7-2-1-3-8(7)6-9/h7-8H,1-6H2.
What are the key properties of 6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene?
6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene has a molecular weight of 160.21 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene is sourced from PubChem (CID 45090704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).