5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one

C12H8F4O — CID 23264800

IUPAC5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one
SMILESO=C1CCC2Cc3c(F)c(F)c(F)c(F)c3C12
InChIInChI=1S/C12H8F4O/c13-9-5-3-4-1-2-6(17)7(4)8(5)10(14)12(16)11(9)15/h4,7H,1-3H2
InChIKeyNUDZCRABJLGZOU-UHFFFAOYSA-N
MW244.19 g/mol
LogP2.86
Rot. Bonds

About 5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one

5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one (PubChem CID 23264800) has the molecular formula C12H8F4O and a molecular weight of 244.19 g/mol. Its IUPAC name is 5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one.

Molecular Properties

Compound Name5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one
PubChem CID23264800
Molecular FormulaC12H8F4O
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one
SMILESO=C1CCC2Cc3c(F)c(F)c(F)c(F)c3C12
InChIInChI=1S/C12H8F4O/c13-9-5-3-4-1-2-6(17)7(4)8(5)10(14)12(16)11(9)15/h4,7H,1-3H2
InChIKeyNUDZCRABJLGZOU-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one?
The IUPAC name of 5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one (CID 23264800) is 5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one.
What is the SMILES notation for 5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one?
The canonical SMILES for 5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one is O=C1CCC2Cc3c(F)c(F)c(F)c(F)c3C12.
What is the InChIKey of 5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one?
The InChIKey is NUDZCRABJLGZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4O/c13-9-5-3-4-1-2-6(17)7(4)8(5)10(14)12(16)11(9)15/h4,7H,1-3H2.
What are the key properties of 5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one?
5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one has a molecular weight of 244.19 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrafluoro-3,3a,4,8b-tetrahydro-2H-cyclopenta[a]inden-1-one is sourced from PubChem (CID 23264800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).