bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene

C10H8F3I — CID 173377103

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene
SMILESCC=C(I)C(F)(F)F.c1cc2ccc1-2
InChIInChI=1S/C6H4.C4H4F3I/c1-2-6-4-3-5(1)6;1-2-3(8)4(5,6)7/h1-4H;2H,1H3
InChIKeyDOVCYBWKJLYBNR-UHFFFAOYSA-N
MW312.07 g/mol
LogP4.55
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene

bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene (PubChem CID 173377103) has the molecular formula C10H8F3I and a molecular weight of 312.07 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene
PubChem CID173377103
Molecular FormulaC10H8F3I
Molecular Weight312.07 g/mol
Exact Mass311.96
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene
SMILESCC=C(I)C(F)(F)F.c1cc2ccc1-2
InChIInChI=1S/C6H4.C4H4F3I/c1-2-6-4-3-5(1)6;1-2-3(8)4(5,6)7/h1-4H;2H,1H3
InChIKeyDOVCYBWKJLYBNR-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.07
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene (CID 173377103) is bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene is CC=C(I)C(F)(F)F.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene?
The InChIKey is DOVCYBWKJLYBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C4H4F3I/c1-2-6-4-3-5(1)6;1-2-3(8)4(5,6)7/h1-4H;2H,1H3.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene?
bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene has a molecular weight of 312.07 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;1,1,1-trifluoro-2-iodobut-2-ene is sourced from PubChem (CID 173377103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).