1,3-difluorobenzene;formic acid

C7H6F2O2 — CID 158586074

IUPAC1,3-difluorobenzene;formic acid
SMILESFc1cccc(F)c1.O=CO
InChIInChI=1S/C6H4F2.CH2O2/c7-5-2-1-3-6(8)4-5;2-1-3/h1-4H;1H,(H,2,3)
InChIKeyHTVMXJUPTRXRRN-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.67
Rot. Bonds

About 1,3-difluorobenzene;formic acid

1,3-difluorobenzene;formic acid (PubChem CID 158586074) has the molecular formula C7H6F2O2 and a molecular weight of 160.12 g/mol. Its IUPAC name is 1,3-difluorobenzene;formic acid.

Molecular Properties

Compound Name1,3-difluorobenzene;formic acid
PubChem CID158586074
Molecular FormulaC7H6F2O2
Molecular Weight160.12 g/mol
Exact Mass160.03
IUPAC Name1,3-difluorobenzene;formic acid
SMILESFc1cccc(F)c1.O=CO
InChIInChI=1S/C6H4F2.CH2O2/c7-5-2-1-3-6(8)4-5;2-1-3/h1-4H;1H,(H,2,3)
InChIKeyHTVMXJUPTRXRRN-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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Related Compounds

acetaldehyde;1,3-difluorobenzene
CID 160854263
1,3-difluorobenzene;methanol
CID 144994633
1-fluoro-3-nitrobenzene;formic acid
CID 162160799
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588
1,3-difluorobenzene;sulfuryl dichloride
CID 87166886
1,3-difluorobenzene;ethyl formate
CID 159397616
2-bromo-2-(3-fluorophenyl)acetaldehyde
CID 87073692
2-aminopropanoic acid;1,3-difluorobenzene;ethane
CID 143238171
2-(3-fluorophenyl)propanal
CID 20610109
1,3-difluorobenzene;hex-2-enoic acid
CID 159871894
4-fluoro-2-hydroxybenzaldehyde;3-fluorophenol
CID 159484859
4-(3-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220290

Frequently Asked Questions

What is the IUPAC name of 1,3-difluorobenzene;formic acid?
The IUPAC name of 1,3-difluorobenzene;formic acid (CID 158586074) is 1,3-difluorobenzene;formic acid.
What is the SMILES notation for 1,3-difluorobenzene;formic acid?
The canonical SMILES for 1,3-difluorobenzene;formic acid is Fc1cccc(F)c1.O=CO.
What is the InChIKey of 1,3-difluorobenzene;formic acid?
The InChIKey is HTVMXJUPTRXRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2.CH2O2/c7-5-2-1-3-6(8)4-5;2-1-3/h1-4H;1H,(H,2,3).
What are the key properties of 1,3-difluorobenzene;formic acid?
1,3-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 1,3-difluorobenzene;formic acid is sourced from PubChem (CID 158586074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).