2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene

C11H12F2 — CID 170005770

IUPAC2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene
SMILESCC(C)c1cc(F)c2c(c1F)CC2
InChIInChI=1S/C11H12F2/c1-6(2)9-5-10(12)7-3-4-8(7)11(9)13/h5-6H,3-4H2,1-2H3
InChIKeyPZIRXXLAYOSTIK-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.19
Rot. Bonds1

About 2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene

2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 170005770) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene
PubChem CID170005770
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene
SMILESCC(C)c1cc(F)c2c(c1F)CC2
InChIInChI=1S/C11H12F2/c1-6(2)9-5-10(12)7-3-4-8(7)11(9)13/h5-6H,3-4H2,1-2H3
InChIKeyPZIRXXLAYOSTIK-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene (CID 170005770) is 2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene is CC(C)c1cc(F)c2c(c1F)CC2.
What is the InChIKey of 2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is PZIRXXLAYOSTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2/c1-6(2)9-5-10(12)7-3-4-8(7)11(9)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene?
2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 182.21 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 170005770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).