2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene

C7H3F3 — CID 68804796

IUPAC2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene
SMILESFc1cc2cc(c1F)C2F
InChIInChI=1S/C7H3F3/c8-5-2-3-1-4(6(3)9)7(5)10/h1-2,6H
InChIKeyFFPBNFQXEOWQGW-UHFFFAOYSA-N
MW144.09 g/mol
LogP2.34
Rot. Bonds

About 2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene

2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene (PubChem CID 68804796) has the molecular formula C7H3F3 and a molecular weight of 144.09 g/mol. Its IUPAC name is 2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene.

Molecular Properties

Compound Name2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene
PubChem CID68804796
Molecular FormulaC7H3F3
Molecular Weight144.09 g/mol
Exact Mass144.02
IUPAC Name2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene
SMILESFc1cc2cc(c1F)C2F
InChIInChI=1S/C7H3F3/c8-5-2-3-1-4(6(3)9)7(5)10/h1-2,6H
InChIKeyFFPBNFQXEOWQGW-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.09
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene?
The IUPAC name of 2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene (CID 68804796) is 2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene.
What is the SMILES notation for 2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene?
The canonical SMILES for 2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene is Fc1cc2cc(c1F)C2F.
What is the InChIKey of 2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene?
The InChIKey is FFPBNFQXEOWQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3/c8-5-2-3-1-4(6(3)9)7(5)10/h1-2,6H.
What are the key properties of 2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene?
2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene has a molecular weight of 144.09 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-trifluorobicyclo[3.1.1]hepta-1,3,5-triene is sourced from PubChem (CID 68804796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).