formaldehyde;1,2,3,4,5-pentafluorobenzene

C7H3F5O — CID 157226759

IUPACformaldehyde;1,2,3,4,5-pentafluorobenzene
SMILESC=O.Fc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5.CH2O/c7-2-1-3(8)5(10)6(11)4(2)9;1-2/h1H;1H2
InChIKeyATPXYBRJAYQHIJ-UHFFFAOYSA-N
MW198.09 g/mol
LogP2.20
Rot. Bonds

About formaldehyde;1,2,3,4,5-pentafluorobenzene

formaldehyde;1,2,3,4,5-pentafluorobenzene (PubChem CID 157226759) has the molecular formula C7H3F5O and a molecular weight of 198.09 g/mol. Its IUPAC name is formaldehyde;1,2,3,4,5-pentafluorobenzene.

Molecular Properties

Compound Nameformaldehyde;1,2,3,4,5-pentafluorobenzene
PubChem CID157226759
Molecular FormulaC7H3F5O
Molecular Weight198.09 g/mol
Exact Mass198.01
IUPAC Nameformaldehyde;1,2,3,4,5-pentafluorobenzene
SMILESC=O.Fc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5.CH2O/c7-2-1-3(8)5(10)6(11)4(2)9;1-2/h1H;1H2
InChIKeyATPXYBRJAYQHIJ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 formaldehyde;1,2,3,4,5-pentafluorobenzene?
The IUPAC name of formaldehyde;1,2,3,4,5-pentafluorobenzene (CID 157226759) is formaldehyde;1,2,3,4,5-pentafluorobenzene.
What is the SMILES notation for formaldehyde;1,2,3,4,5-pentafluorobenzene?
The canonical SMILES for formaldehyde;1,2,3,4,5-pentafluorobenzene is C=O.Fc1cc(F)c(F)c(F)c1F.
What is the InChIKey of formaldehyde;1,2,3,4,5-pentafluorobenzene?
The InChIKey is ATPXYBRJAYQHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5.CH2O/c7-2-1-3(8)5(10)6(11)4(2)9;1-2/h1H;1H2.
What are the key properties of formaldehyde;1,2,3,4,5-pentafluorobenzene?
formaldehyde;1,2,3,4,5-pentafluorobenzene has a molecular weight of 198.09 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1,2,3,4,5-pentafluorobenzene is sourced from PubChem (CID 157226759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).