(7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene

C11F14 — CID 125496698

IUPAC(7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESFc1c(F)c(F)c2c(c1F)[C@](F)(C(F)(F)F)[C@@]2(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11F14/c12-3-1-2(4(13)6(15)5(3)14)8(17,10(20,21)22)7(1,16)9(18,19)11(23,24)25/t7-,8-/m1/s1
InChIKeyCBWFMXVQUSGNPM-HTQZYQBOSA-N
MW398.09 g/mol
LogP5.35
Rot. Bonds1

About (7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene

(7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 125496698) has the molecular formula C11F14 and a molecular weight of 398.09 g/mol. Its IUPAC name is (7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name(7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID125496698
Molecular FormulaC11F14
Molecular Weight398.09 g/mol
Exact Mass397.98
IUPAC Name(7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESFc1c(F)c(F)c2c(c1F)[C@](F)(C(F)(F)F)[C@@]2(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11F14/c12-3-1-2(4(13)6(15)5(3)14)8(17,10(20,21)22)7(1,16)9(18,19)11(23,24)25/t7-,8-/m1/s1
InChIKeyCBWFMXVQUSGNPM-HTQZYQBOSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.09
LogP ≤ 55.35
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

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Related Compounds

2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 12566761
2,3,4,5,7,7-hexafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 13492595
1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene
CID 11078885
1,1,2,2,3,3,4,4,5,5-decafluoro-6-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)cyclohexane
CID 87754680
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 175593131
3,3,4,4,5,6,7,8-octafluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-2-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-one
CID 175771436
2,3,4,5,8,8-hexafluoro-7-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
CID 626457
4-[2,3,4,5-tetrafluoro-6-[2,3,4,5,6-pentafluoro-1,6-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]phenyl]phenol
CID 141196647
1,1,3,3,4,5,6,7-octafluoro-2-benzofuran
CID 14195971
trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane
CID 98047723
2,3,4,5,8,8-hexafluoro-7-[2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
CID 15312175
1,2,3,4,5,6,8,9-octafluoro-4b,10-bis(1,1,2,2,2-pentafluoroethyl)benzo[a]azulen-7-one
CID 24772957

Frequently Asked Questions

What is the IUPAC name of (7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of (7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene (CID 125496698) is (7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for (7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for (7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene is Fc1c(F)c(F)c2c(c1F)[C@](F)(C(F)(F)F)[C@@]2(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is CBWFMXVQUSGNPM-HTQZYQBOSA-N. The full InChI is InChI=1S/C11F14/c12-3-1-2(4(13)6(15)5(3)14)8(17,10(20,21)22)7(1,16)9(18,19)11(23,24)25/t7-,8-/m1/s1.
What are the key properties of (7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene?
(7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 398.09 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 125496698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).