2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene

C13H16F2O2 — CID 70482555

IUPAC2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CO.Fc1c2ccc-2c1F
InChIInChI=1S/C6H2F2.C6H10O.CH4O/c7-5-3-1-2-4(3)6(5)8;1-3-5-7-6-4-2;1-2/h1-2H;3-4H,1-2,5-6H2;2H,1H3
InChIKeyPQGKUMLULCKFBN-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.93
Rot. Bonds4

About 2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene

2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene (PubChem CID 70482555) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is 2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene
PubChem CID70482555
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CO.Fc1c2ccc-2c1F
InChIInChI=1S/C6H2F2.C6H10O.CH4O/c7-5-3-1-2-4(3)6(5)8;1-3-5-7-6-4-2;1-2/h1-2H;3-4H,1-2,5-6H2;2H,1H3
InChIKeyPQGKUMLULCKFBN-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene?
The IUPAC name of 2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene (CID 70482555) is 2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for 2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for 2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.CO.Fc1c2ccc-2c1F.
What is the InChIKey of 2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene?
The InChIKey is PQGKUMLULCKFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2.C6H10O.CH4O/c7-5-3-1-2-4(3)6(5)8;1-3-5-7-6-4-2;1-2/h1-2H;3-4H,1-2,5-6H2;2H,1H3.
What are the key properties of 2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene?
2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene has a molecular weight of 242.26 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluorobicyclo[2.2.0]hexa-1,3,5-triene;methanol;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 70482555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).