2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene

C11F14 — CID 13492589

IUPAC2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C2(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11F14/c12-3-1-2(4(13)6(15)5(3)14)8(17,18)7(1,16)9(19,10(20,21)22)11(23,24)25
InChIKeyQTYGPRCHPTTYIL-UHFFFAOYSA-N
MW398.09 g/mol
LogP5.35
Rot. Bonds1

About 2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene

2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 13492589) has the molecular formula C11F14 and a molecular weight of 398.09 g/mol. Its IUPAC name is 2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID13492589
Molecular FormulaC11F14
Molecular Weight398.09 g/mol
Exact Mass397.98
IUPAC Name2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C2(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11F14/c12-3-1-2(4(13)6(15)5(3)14)8(17,18)7(1,16)9(19,10(20,21)22)11(23,24)25
InChIKeyQTYGPRCHPTTYIL-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene (CID 13492589) is 2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C2(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is QTYGPRCHPTTYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F14/c12-3-1-2(4(13)6(15)5(3)14)8(17,18)7(1,16)9(19,10(20,21)22)11(23,24)25.
What are the key properties of 2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene?
2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)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 2,3,4,5,7,7,8-heptafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)bicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 13492589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).