fluorobenzene;formic acid;hydrofluoride

C7H8F2O2 — CID 159264713

IUPACfluorobenzene;formic acid;hydrofluoride
SMILESF.Fc1ccccc1.O=CO
InChIInChI=1S/C6H5F.CH2O2.FH/c7-6-4-2-1-3-5-6;2-1-3;/h1-5H;1H,(H,2,3);1H
InChIKeyYHPHYHKCYLGQEE-UHFFFAOYSA-N
MW162.13 g/mol
LogP1.68
Rot. Bonds

About fluorobenzene;formic acid;hydrofluoride

fluorobenzene;formic acid;hydrofluoride (PubChem CID 159264713) has the molecular formula C7H8F2O2 and a molecular weight of 162.13 g/mol. Its IUPAC name is fluorobenzene;formic acid;hydrofluoride.

Molecular Properties

Compound Namefluorobenzene;formic acid;hydrofluoride
PubChem CID159264713
Molecular FormulaC7H8F2O2
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Namefluorobenzene;formic acid;hydrofluoride
SMILESF.Fc1ccccc1.O=CO
InChIInChI=1S/C6H5F.CH2O2.FH/c7-6-4-2-1-3-5-6;2-1-3;/h1-5H;1H,(H,2,3);1H
InChIKeyYHPHYHKCYLGQEE-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 51.68
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;hydrofluoride?
The IUPAC name of fluorobenzene;formic acid;hydrofluoride (CID 159264713) is fluorobenzene;formic acid;hydrofluoride.
What is the SMILES notation for fluorobenzene;formic acid;hydrofluoride?
The canonical SMILES for fluorobenzene;formic acid;hydrofluoride is F.Fc1ccccc1.O=CO.
What is the InChIKey of fluorobenzene;formic acid;hydrofluoride?
The InChIKey is YHPHYHKCYLGQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F.CH2O2.FH/c7-6-4-2-1-3-5-6;2-1-3;/h1-5H;1H,(H,2,3);1H.
What are the key properties of fluorobenzene;formic acid;hydrofluoride?
fluorobenzene;formic acid;hydrofluoride has a molecular weight of 162.13 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;formic acid;hydrofluoride is sourced from PubChem (CID 159264713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).