2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid

C7H5FO2 — CID 174478475

IUPAC2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid
SMILESFc1ccc2cc1-2.O=CO
InChIInChI=1S/C6H3F.CH2O2/c7-6-2-1-4-3-5(4)6;2-1-3/h1-3H;1H,(H,2,3)
InChIKeyXBQKBZFDBDNGSD-UHFFFAOYSA-N
MW140.11 g/mol
LogP1.51
Rot. Bonds

About 2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid

2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid (PubChem CID 174478475) has the molecular formula C7H5FO2 and a molecular weight of 140.11 g/mol. Its IUPAC name is 2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid.

Molecular Properties

Compound Name2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid
PubChem CID174478475
Molecular FormulaC7H5FO2
Molecular Weight140.11 g/mol
Exact Mass140.03
IUPAC Name2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid
SMILESFc1ccc2cc1-2.O=CO
InChIInChI=1S/C6H3F.CH2O2/c7-6-2-1-4-3-5(4)6;2-1-3/h1-3H;1H,(H,2,3)
InChIKeyXBQKBZFDBDNGSD-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid?
The IUPAC name of 2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid (CID 174478475) is 2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid.
What is the SMILES notation for 2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid?
The canonical SMILES for 2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid is Fc1ccc2cc1-2.O=CO.
What is the InChIKey of 2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid?
The InChIKey is XBQKBZFDBDNGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F.CH2O2/c7-6-2-1-4-3-5(4)6;2-1-3/h1-3H;1H,(H,2,3).
What are the key properties of 2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid?
2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid has a molecular weight of 140.11 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid is sourced from PubChem (CID 174478475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).