fluorobenzene;formic acid

C7H7FO2 — CID 142922190

IUPACfluorobenzene;formic acid
SMILESFc1ccccc1.O=CO
InChIInChI=1S/C6H5F.CH2O2/c7-6-4-2-1-3-5-6;2-1-3/h1-5H;1H,(H,2,3)
InChIKeyLCALVNLSKDINOK-UHFFFAOYSA-N
MW142.13 g/mol
LogP1.53
Rot. Bonds

About fluorobenzene;formic acid

fluorobenzene;formic acid (PubChem CID 142922190) has the molecular formula C7H7FO2 and a molecular weight of 142.13 g/mol. Its IUPAC name is fluorobenzene;formic acid.

Molecular Properties

Compound Namefluorobenzene;formic acid
PubChem CID142922190
Molecular FormulaC7H7FO2
Molecular Weight142.13 g/mol
Exact Mass142.04
IUPAC Namefluorobenzene;formic acid
SMILESFc1ccccc1.O=CO
InChIInChI=1S/C6H5F.CH2O2/c7-6-4-2-1-3-5-6;2-1-3/h1-5H;1H,(H,2,3)
InChIKeyLCALVNLSKDINOK-UHFFFAOYSA-N
XLogP1.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 51.53
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 fluorobenzene;formic acid?
The IUPAC name of fluorobenzene;formic acid (CID 142922190) is fluorobenzene;formic acid.
What is the SMILES notation for fluorobenzene;formic acid?
The canonical SMILES for fluorobenzene;formic acid is Fc1ccccc1.O=CO.
What is the InChIKey of fluorobenzene;formic acid?
The InChIKey is LCALVNLSKDINOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F.CH2O2/c7-6-4-2-1-3-5-6;2-1-3/h1-5H;1H,(H,2,3).
What are the key properties of fluorobenzene;formic acid?
fluorobenzene;formic acid has a molecular weight of 142.13 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;formic acid is sourced from PubChem (CID 142922190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).