2,3,4-trifluoro-6-methoxybenzaldehyde

C8H5F3O2 — CID 105443995

IUPAC2,3,4-trifluoro-6-methoxybenzaldehyde
SMILESCOc1cc(F)c(F)c(F)c1C=O
InChIInChI=1S/C8H5F3O2/c1-13-6-2-5(9)8(11)7(10)4(6)3-12/h2-3H,1H3
InChIKeyWBFUNWUIACVBSM-UHFFFAOYSA-N
MW190.12 g/mol
LogP1.92
Rot. Bonds2

About 2,3,4-trifluoro-6-methoxybenzaldehyde

2,3,4-trifluoro-6-methoxybenzaldehyde (PubChem CID 105443995) has the molecular formula C8H5F3O2 and a molecular weight of 190.12 g/mol. Its IUPAC name is 2,3,4-trifluoro-6-methoxybenzaldehyde.

Molecular Properties

Compound Name2,3,4-trifluoro-6-methoxybenzaldehyde
PubChem CID105443995
Molecular FormulaC8H5F3O2
Molecular Weight190.12 g/mol
Exact Mass190.02
IUPAC Name2,3,4-trifluoro-6-methoxybenzaldehyde
SMILESCOc1cc(F)c(F)c(F)c1C=O
InChIInChI=1S/C8H5F3O2/c1-13-6-2-5(9)8(11)7(10)4(6)3-12/h2-3H,1H3
InChIKeyWBFUNWUIACVBSM-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-methoxy-4-methylbenzaldehyde
CID 74891129
2,3,5,6-tetrafluoro-4-methoxybenzaldehyde
CID 91620939
2-[(2,3,4-trifluoro-6-methoxyphenyl)methylideneamino]guanidine
CID 168591151
2,3,5,6-tetrafluoroterephthalaldehyde
CID 10420501
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
4-tert-butyl-2,6-dimethoxybenzaldehyde
CID 138453760
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
3-bromo-2-fluoro-6-hydroxy-4-methoxybenzaldehyde
CID 84706801
2-fluoro-3-formyl-4-methoxybenzonitrile
CID 131267747
1,2,4-trifluoro-3,5-dimethoxybenzene
CID 10535733
2-fluoro-3-methoxynaphthalene-1-carbaldehyde
CID 142595682

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-6-methoxybenzaldehyde?
The IUPAC name of 2,3,4-trifluoro-6-methoxybenzaldehyde (CID 105443995) is 2,3,4-trifluoro-6-methoxybenzaldehyde.
What is the SMILES notation for 2,3,4-trifluoro-6-methoxybenzaldehyde?
The canonical SMILES for 2,3,4-trifluoro-6-methoxybenzaldehyde is COc1cc(F)c(F)c(F)c1C=O.
What is the InChIKey of 2,3,4-trifluoro-6-methoxybenzaldehyde?
The InChIKey is WBFUNWUIACVBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O2/c1-13-6-2-5(9)8(11)7(10)4(6)3-12/h2-3H,1H3.
What are the key properties of 2,3,4-trifluoro-6-methoxybenzaldehyde?
2,3,4-trifluoro-6-methoxybenzaldehyde has a molecular weight of 190.12 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-6-methoxybenzaldehyde is sourced from PubChem (CID 105443995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).