5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C9H14F2 — CID 89390683

IUPAC5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESFC1CC2CCCC2CC1F
InChIInChI=1S/C9H14F2/c10-8-4-6-2-1-3-7(6)5-9(8)11/h6-9H,1-5H2
InChIKeyURYOQFDMSSIAON-UHFFFAOYSA-N
MW160.21 g/mol
LogP2.87
Rot. Bonds

About 5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 89390683) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID89390683
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESFC1CC2CCCC2CC1F
InChIInChI=1S/C9H14F2/c10-8-4-6-2-1-3-7(6)5-9(8)11/h6-9H,1-5H2
InChIKeyURYOQFDMSSIAON-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 89390683) is 5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is FC1CC2CCCC2CC1F.
What is the InChIKey of 5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is URYOQFDMSSIAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c10-8-4-6-2-1-3-7(6)5-9(8)11/h6-9H,1-5H2.
What are the key properties of 5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 160.21 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 89390683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).