1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde

C10H6F8O — CID 144618300

IUPAC1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde
SMILESCCc1c(F)c(F)c(F)c(F)c1F.O=CC(F)(F)F
InChIInChI=1S/C8H5F5.C2HF3O/c1-2-3-4(9)6(11)8(13)7(12)5(3)10;3-2(4,5)1-6/h2H2,1H3;1H
InChIKeyQOYMZDSXUSJHLC-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.69
Rot. Bonds1

About 1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde

1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde (PubChem CID 144618300) has the molecular formula C10H6F8O and a molecular weight of 294.14 g/mol. Its IUPAC name is 1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde
PubChem CID144618300
Molecular FormulaC10H6F8O
Molecular Weight294.14 g/mol
Exact Mass294.03
IUPAC Name1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde
SMILESCCc1c(F)c(F)c(F)c(F)c1F.O=CC(F)(F)F
InChIInChI=1S/C8H5F5.C2HF3O/c1-2-3-4(9)6(11)8(13)7(12)5(3)10;3-2(4,5)1-6/h2H2,1H3;1H
InChIKeyQOYMZDSXUSJHLC-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde?
The IUPAC name of 1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde (CID 144618300) is 1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for 1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for 1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde is CCc1c(F)c(F)c(F)c(F)c1F.O=CC(F)(F)F.
What is the InChIKey of 1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde?
The InChIKey is QOYMZDSXUSJHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5.C2HF3O/c1-2-3-4(9)6(11)8(13)7(12)5(3)10;3-2(4,5)1-6/h2H2,1H3;1H.
What are the key properties of 1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde?
1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde has a molecular weight of 294.14 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4,5,6-pentafluorobenzene;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 144618300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).