2,3,5,6-tetrafluoroterephthalaldehyde

C8H2F4O2 — CID 10420501

IUPAC2,3,5,6-tetrafluoroterephthalaldehyde
SMILESO=Cc1c(F)c(F)c(C=O)c(F)c1F
InChIInChI=1S/C8H2F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2H
InChIKeyWJHRAPYKYJKACM-UHFFFAOYSA-N
MW206.09 g/mol
LogP1.87
Rot. Bonds2

About 2,3,5,6-tetrafluoroterephthalaldehyde

2,3,5,6-tetrafluoroterephthalaldehyde (PubChem CID 10420501) has the molecular formula C8H2F4O2 and a molecular weight of 206.09 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoroterephthalaldehyde.

Molecular Properties

Compound Name2,3,5,6-tetrafluoroterephthalaldehyde
PubChem CID10420501
Molecular FormulaC8H2F4O2
Molecular Weight206.09 g/mol
Exact Mass206.00
IUPAC Name2,3,5,6-tetrafluoroterephthalaldehyde
SMILESO=Cc1c(F)c(F)c(C=O)c(F)c1F
InChIInChI=1S/C8H2F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2H
InChIKeyWJHRAPYKYJKACM-UHFFFAOYSA-N
XLogP1.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.09
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-2,3,5,6-tetrafluorobenzaldehyde
CID 163463323
2-chloro-3,5,6-trifluoroterephthalaldehyde
CID 87294462
2,3,5,6-tetrafluoro-4-methoxybenzaldehyde
CID 91620939
2,3,5,6-tetrafluoro-4-formylbenzonitrile
CID 131607107
3,5-dichloro-2,4,6-trifluorobenzaldehyde
CID 22026357
4-(diethylamino)-2,3,5,6-tetrafluorobenzaldehyde
CID 20740980
3,4,6-trifluoro-5-[2-(2,3,6-trifluoro-4,5-diformylphenyl)propan-2-yl]phthalaldehyde
CID 151521868
2,3,4,5-tetrafluoro-6-formylbenzoic acid
CID 89331543
2,3,4-trifluoro-6-methoxybenzaldehyde
CID 105443995
2-azido-3,4,5,6-tetrafluorobenzaldehyde
CID 54024165
3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde
CID 142766285
2-(2,3,4,5-tetrafluoro-6-formylphenyl)acetic acid
CID 171365740

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoroterephthalaldehyde?
The IUPAC name of 2,3,5,6-tetrafluoroterephthalaldehyde (CID 10420501) is 2,3,5,6-tetrafluoroterephthalaldehyde.
What is the SMILES notation for 2,3,5,6-tetrafluoroterephthalaldehyde?
The canonical SMILES for 2,3,5,6-tetrafluoroterephthalaldehyde is O=Cc1c(F)c(F)c(C=O)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoroterephthalaldehyde?
The InChIKey is WJHRAPYKYJKACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h1-2H.
What are the key properties of 2,3,5,6-tetrafluoroterephthalaldehyde?
2,3,5,6-tetrafluoroterephthalaldehyde has a molecular weight of 206.09 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoroterephthalaldehyde is sourced from PubChem (CID 10420501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).