formyl fluoride;1,2,4-trifluorobenzene

C7H4F4O — CID 158131770

IUPACformyl fluoride;1,2,4-trifluorobenzene
SMILESFc1ccc(F)c(F)c1.O=CF
InChIInChI=1S/C6H3F3.CHFO/c7-4-1-2-5(8)6(9)3-4;2-1-3/h1-3H;1H
InChIKeyFSWACEGDLQXFRZ-UHFFFAOYSA-N
MW180.10 g/mol
LogP2.25
Rot. Bonds

About formyl fluoride;1,2,4-trifluorobenzene

formyl fluoride;1,2,4-trifluorobenzene (PubChem CID 158131770) has the molecular formula C7H4F4O and a molecular weight of 180.10 g/mol. Its IUPAC name is formyl fluoride;1,2,4-trifluorobenzene.

Molecular Properties

Compound Nameformyl fluoride;1,2,4-trifluorobenzene
PubChem CID158131770
Molecular FormulaC7H4F4O
Molecular Weight180.10 g/mol
Exact Mass180.02
IUPAC Nameformyl fluoride;1,2,4-trifluorobenzene
SMILESFc1ccc(F)c(F)c1.O=CF
InChIInChI=1S/C6H3F3.CHFO/c7-4-1-2-5(8)6(9)3-4;2-1-3/h1-3H;1H
InChIKeyFSWACEGDLQXFRZ-UHFFFAOYSA-N
XLogP2.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.10
LogP ≤ 52.25
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'}

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Frequently Asked Questions

What is the IUPAC name of formyl fluoride;1,2,4-trifluorobenzene?
The IUPAC name of formyl fluoride;1,2,4-trifluorobenzene (CID 158131770) is formyl fluoride;1,2,4-trifluorobenzene.
What is the SMILES notation for formyl fluoride;1,2,4-trifluorobenzene?
The canonical SMILES for formyl fluoride;1,2,4-trifluorobenzene is Fc1ccc(F)c(F)c1.O=CF.
What is the InChIKey of formyl fluoride;1,2,4-trifluorobenzene?
The InChIKey is FSWACEGDLQXFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3.CHFO/c7-4-1-2-5(8)6(9)3-4;2-1-3/h1-3H;1H.
What are the key properties of formyl fluoride;1,2,4-trifluorobenzene?
formyl fluoride;1,2,4-trifluorobenzene has a molecular weight of 180.10 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formyl fluoride;1,2,4-trifluorobenzene is sourced from PubChem (CID 158131770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).