formyl fluoride;1,2,3,4-tetrafluorobenzene

C7H3F5O — CID 158521695

IUPACformyl fluoride;1,2,3,4-tetrafluorobenzene
SMILESFc1ccc(F)c(F)c1F.O=CF
InChIInChI=1S/C6H2F4.CHFO/c7-3-1-2-4(8)6(10)5(3)9;2-1-3/h1-2H;1H
InChIKeyHMHHLMWMYQNWTE-UHFFFAOYSA-N
MW198.09 g/mol
LogP2.39
Rot. Bonds

About formyl fluoride;1,2,3,4-tetrafluorobenzene

formyl fluoride;1,2,3,4-tetrafluorobenzene (PubChem CID 158521695) has the molecular formula C7H3F5O and a molecular weight of 198.09 g/mol. Its IUPAC name is formyl fluoride;1,2,3,4-tetrafluorobenzene.

Molecular Properties

Compound Nameformyl fluoride;1,2,3,4-tetrafluorobenzene
PubChem CID158521695
Molecular FormulaC7H3F5O
Molecular Weight198.09 g/mol
Exact Mass198.01
IUPAC Nameformyl fluoride;1,2,3,4-tetrafluorobenzene
SMILESFc1ccc(F)c(F)c1F.O=CF
InChIInChI=1S/C6H2F4.CHFO/c7-3-1-2-4(8)6(10)5(3)9;2-1-3/h1-2H;1H
InChIKeyHMHHLMWMYQNWTE-UHFFFAOYSA-N
XLogP2.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formyl fluoride;1,2,3,4-tetrafluorobenzene?
The IUPAC name of formyl fluoride;1,2,3,4-tetrafluorobenzene (CID 158521695) is formyl fluoride;1,2,3,4-tetrafluorobenzene.
What is the SMILES notation for formyl fluoride;1,2,3,4-tetrafluorobenzene?
The canonical SMILES for formyl fluoride;1,2,3,4-tetrafluorobenzene is Fc1ccc(F)c(F)c1F.O=CF.
What is the InChIKey of formyl fluoride;1,2,3,4-tetrafluorobenzene?
The InChIKey is HMHHLMWMYQNWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F4.CHFO/c7-3-1-2-4(8)6(10)5(3)9;2-1-3/h1-2H;1H.
What are the key properties of formyl fluoride;1,2,3,4-tetrafluorobenzene?
formyl fluoride;1,2,3,4-tetrafluorobenzene has a molecular weight of 198.09 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formyl fluoride;1,2,3,4-tetrafluorobenzene is sourced from PubChem (CID 158521695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).