1,4-difluorobenzene;formic acid

C7H6F2O2 — CID 158206860

IUPAC1,4-difluorobenzene;formic acid
SMILESFc1ccc(F)cc1.O=CO
InChIInChI=1S/C6H4F2.CH2O2/c7-5-1-2-6(8)4-3-5;2-1-3/h1-4H;1H,(H,2,3)
InChIKeyGBPHMFTZXHIFJC-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.67
Rot. Bonds

About 1,4-difluorobenzene;formic acid

1,4-difluorobenzene;formic acid (PubChem CID 158206860) has the molecular formula C7H6F2O2 and a molecular weight of 160.12 g/mol. Its IUPAC name is 1,4-difluorobenzene;formic acid.

Molecular Properties

Compound Name1,4-difluorobenzene;formic acid
PubChem CID158206860
Molecular FormulaC7H6F2O2
Molecular Weight160.12 g/mol
Exact Mass160.03
IUPAC Name1,4-difluorobenzene;formic acid
SMILESFc1ccc(F)cc1.O=CO
InChIInChI=1S/C6H4F2.CH2O2/c7-5-1-2-6(8)4-3-5;2-1-3/h1-4H;1H,(H,2,3)
InChIKeyGBPHMFTZXHIFJC-UHFFFAOYSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.67
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 1,4-difluorobenzene;formic acid?
The IUPAC name of 1,4-difluorobenzene;formic acid (CID 158206860) is 1,4-difluorobenzene;formic acid.
What is the SMILES notation for 1,4-difluorobenzene;formic acid?
The canonical SMILES for 1,4-difluorobenzene;formic acid is Fc1ccc(F)cc1.O=CO.
What is the InChIKey of 1,4-difluorobenzene;formic acid?
The InChIKey is GBPHMFTZXHIFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2.CH2O2/c7-5-1-2-6(8)4-3-5;2-1-3/h1-4H;1H,(H,2,3).
What are the key properties of 1,4-difluorobenzene;formic acid?
1,4-difluorobenzene;formic acid has a molecular weight of 160.12 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorobenzene;formic acid is sourced from PubChem (CID 158206860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).