difluoromethylbenzene;formic acid

C8H8F2O2 — CID 162047523

IUPACdifluoromethylbenzene;formic acid
SMILESFC(F)c1ccccc1.O=CO
InChIInChI=1S/C7H6F2.CH2O2/c8-7(9)6-4-2-1-3-5-6;2-1-3/h1-5,7H;1H,(H,2,3)
InChIKeyYYCBPOZHVOGYSV-UHFFFAOYSA-N
MW174.15 g/mol
LogP2.33
Rot. Bonds1

About difluoromethylbenzene;formic acid

difluoromethylbenzene;formic acid (PubChem CID 162047523) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is difluoromethylbenzene;formic acid.

Molecular Properties

Compound Namedifluoromethylbenzene;formic acid
PubChem CID162047523
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Namedifluoromethylbenzene;formic acid
SMILESFC(F)c1ccccc1.O=CO
InChIInChI=1S/C7H6F2.CH2O2/c8-7(9)6-4-2-1-3-5-6;2-1-3/h1-5,7H;1H,(H,2,3)
InChIKeyYYCBPOZHVOGYSV-UHFFFAOYSA-N
XLogP2.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 52.33
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 difluoromethylbenzene;formic acid?
The IUPAC name of difluoromethylbenzene;formic acid (CID 162047523) is difluoromethylbenzene;formic acid.
What is the SMILES notation for difluoromethylbenzene;formic acid?
The canonical SMILES for difluoromethylbenzene;formic acid is FC(F)c1ccccc1.O=CO.
What is the InChIKey of difluoromethylbenzene;formic acid?
The InChIKey is YYCBPOZHVOGYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2.CH2O2/c8-7(9)6-4-2-1-3-5-6;2-1-3/h1-5,7H;1H,(H,2,3).
What are the key properties of difluoromethylbenzene;formic acid?
difluoromethylbenzene;formic acid has a molecular weight of 174.15 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethylbenzene;formic acid is sourced from PubChem (CID 162047523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).