2,3,5,6-tetrafluoro-4-methoxybenzaldehyde

C8H4F4O2 — CID 91620939

IUPAC2,3,5,6-tetrafluoro-4-methoxybenzaldehyde
SMILESCOc1c(F)c(F)c(C=O)c(F)c1F
InChIInChI=1S/C8H4F4O2/c1-14-8-6(11)4(9)3(2-13)5(10)7(8)12/h2H,1H3
InChIKeyPCZBUBRBHGQWCL-UHFFFAOYSA-N
MW208.11 g/mol
LogP2.06
Rot. Bonds2

About 2,3,5,6-tetrafluoro-4-methoxybenzaldehyde

2,3,5,6-tetrafluoro-4-methoxybenzaldehyde (PubChem CID 91620939) has the molecular formula C8H4F4O2 and a molecular weight of 208.11 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-methoxybenzaldehyde
PubChem CID91620939
Molecular FormulaC8H4F4O2
Molecular Weight208.11 g/mol
Exact Mass208.01
IUPAC Name2,3,5,6-tetrafluoro-4-methoxybenzaldehyde
SMILESCOc1c(F)c(F)c(C=O)c(F)c1F
InChIInChI=1S/C8H4F4O2/c1-14-8-6(11)4(9)3(2-13)5(10)7(8)12/h2H,1H3
InChIKeyPCZBUBRBHGQWCL-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 52.06
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-Methoxybenzaldehyde
CID 31244
p-(Trifluoromethoxy)benzaldehyde
CID 69573
1-(3-Fluoro-4-methoxyphenyl)ethan-1-one
CID 96828
2,2,2-Trifluoro-4'-methoxyacetophenone
CID 136555
Benzaldehyde, 4-(1,1,2,2-tetrafluoroethoxy)-
CID 118804
(4-Methoxyphenyl)glyoxal
CID 70643
2-Fluoro-4-methoxybenzaldehyde
CID 2734873
2'-Fluoro-4'-methoxyacetophenone
CID 592821
3-Iodo-4-methoxybenzaldehyde
CID 1494376
3-Fluoro-p-anisaldehyde
CID 67696
4-(2,2,2-Trifluoroethoxy)benzaldehyde
CID 4770946
Npc214776
CID 11252044

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-methoxybenzaldehyde?
The IUPAC name of 2,3,5,6-tetrafluoro-4-methoxybenzaldehyde (CID 91620939) is 2,3,5,6-tetrafluoro-4-methoxybenzaldehyde.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-methoxybenzaldehyde?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-methoxybenzaldehyde is COc1c(F)c(F)c(C=O)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-methoxybenzaldehyde?
The InChIKey is PCZBUBRBHGQWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O2/c1-14-8-6(11)4(9)3(2-13)5(10)7(8)12/h2H,1H3.
What are the key properties of 2,3,5,6-tetrafluoro-4-methoxybenzaldehyde?
2,3,5,6-tetrafluoro-4-methoxybenzaldehyde has a molecular weight of 208.11 g/mol, XLogP of 2.06, 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-tetrafluoro-4-methoxybenzaldehyde is sourced from PubChem (CID 91620939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).