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

C12H8F4O — CID 23264794

IUPAC5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one
SMILESO=C1CCC2c3c(F)c(F)c(F)c(F)c3CC12
InChIInChI=1S/C12H8F4O/c13-9-6-3-5-4(1-2-7(5)17)8(6)10(14)12(16)11(9)15/h4-5H,1-3H2
InChIKeyYRTGATFDDAPNLT-UHFFFAOYSA-N
MW244.19 g/mol
LogP2.86
Rot. Bonds

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

5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one (PubChem CID 23264794) has the molecular formula C12H8F4O and a molecular weight of 244.19 g/mol. Its IUPAC name is 5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one.

Molecular Properties

Compound Name5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one
PubChem CID23264794
Molecular FormulaC12H8F4O
Molecular Weight244.19 g/mol
Exact Mass244.05
IUPAC Name5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one
SMILESO=C1CCC2c3c(F)c(F)c(F)c(F)c3CC12
InChIInChI=1S/C12H8F4O/c13-9-6-3-5-4(1-2-7(5)17)8(6)10(14)12(16)11(9)15/h4-5H,1-3H2
InChIKeyYRTGATFDDAPNLT-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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Related Compounds

2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene
CID 23262367
4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol
CID 130114805
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314
(3aS,5aS,8aS,8bS)-1,2,3a,4,5,5a,7,8,8a,8b-decahydro-as-indacene-3,6-dione
CID 102156488
2-(1,3-dithiolan-2-yl)cyclobutan-1-one
CID 134937197
bicyclo[3.2.0]heptan-2-one
CID 543759
5-methyl-2,3,3a,6,7,7a-hexahydroinden-1-one
CID 130027384
(2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid
CID 10979324
(1S,2S)-5,6,7,8-tetrafluoro-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 57068240
2-methyl-3-phenylcyclopentan-1-one
CID 12573116
(1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol
CID 23264814
6-(chloromethyl)bicyclo[3.2.0]hept-6-en-2-one
CID 55300936

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one?
The IUPAC name of 5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one (CID 23264794) is 5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one.
What is the SMILES notation for 5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one?
The canonical SMILES for 5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one is O=C1CCC2c3c(F)c(F)c(F)c(F)c3CC12.
What is the InChIKey of 5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one?
The InChIKey is YRTGATFDDAPNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4O/c13-9-6-3-5-4(1-2-7(5)17)8(6)10(14)12(16)11(9)15/h4-5H,1-3H2.
What are the key properties of 5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one?
5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-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-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one is sourced from PubChem (CID 23264794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).