2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene

C8H3F5 — CID 23262367

IUPAC2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene
SMILESFc1c(F)c(F)c2c(c1F)CC2F
InChIInChI=1S/C8H3F5/c9-3-1-2-4(3)6(11)8(13)7(12)5(2)10/h3H,1H2
InChIKeyKTUXOPQVTKABFI-UHFFFAOYSA-N
MW194.10 g/mol
LogP2.81
Rot. Bonds

About 2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene

2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 23262367) has the molecular formula C8H3F5 and a molecular weight of 194.10 g/mol. Its IUPAC name is 2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID23262367
Molecular FormulaC8H3F5
Molecular Weight194.10 g/mol
Exact Mass194.02
IUPAC Name2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene
SMILESFc1c(F)c(F)c2c(c1F)CC2F
InChIInChI=1S/C8H3F5/c9-3-1-2-4(3)6(11)8(13)7(12)5(2)10/h3H,1H2
InChIKeyKTUXOPQVTKABFI-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.10
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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CID 130114805
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CID 23264814
5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one
CID 23264794
(1S,2S)-5,6,7,8-tetrafluoro-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 57068240
3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol
CID 23267672
1-chloro-5,6,7,8-tetrafluoro-1,4-dihydroisochromen-3-one
CID 171365743
2-(2,3,4,5,6-pentafluorophenyl)azetidine
CID 71751503
(Z)-(3,4,5,6-tetrafluoro-9-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienylidene)hydrazine
CID 117069478
(2S)-2-fluorocyclopropan-1-one
CID 71362545
1-(11-acetyl-3,4,5,6-tetrafluoro-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)ethanone
CID 90482676
1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)benzene
CID 129044818
sodium 1-[2,3-bis(2,3,4,5,6-pentafluorophenyl)cyclopentyl]-2,3,4,5,6-pentafluorobenzene
CID 134976624

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene (CID 23262367) is 2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene is Fc1c(F)c(F)c2c(c1F)CC2F.
What is the InChIKey of 2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is KTUXOPQVTKABFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5/c9-3-1-2-4(3)6(11)8(13)7(12)5(2)10/h3H,1H2.
What are the key properties of 2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene?
2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 194.10 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 23262367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).