5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde

C9H8ClFO3 — CID 84684172

IUPAC5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde
SMILESCOc1c(Cl)cc(C=O)c(OC)c1F
InChIInChI=1S/C9H8ClFO3/c1-13-8-5(4-12)3-6(10)9(14-2)7(8)11/h3-4H,1-2H3
InChIKeyUYSCGWJDOKXKQN-UHFFFAOYSA-N
MW218.61 g/mol
LogP2.31
Rot. Bonds3

About 5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde

5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde (PubChem CID 84684172) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde.

Molecular Properties

Compound Name5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde
PubChem CID84684172
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Name5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde
SMILESCOc1c(Cl)cc(C=O)c(OC)c1F
InChIInChI=1S/C9H8ClFO3/c1-13-8-5(4-12)3-6(10)9(14-2)7(8)11/h3-4H,1-2H3
InChIKeyUYSCGWJDOKXKQN-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84778086
3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde
CID 84710945
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
CID 105451300
(2,4-dichloro-6-formylphenyl) 2,4,5-trifluoro-3-methoxybenzoate
CID 91730376
5-chloro-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde
CID 117363625
5-chloro-2,3-dimethoxy-4-[(methoxyamino)methyl]benzaldehyde
CID 117403358
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
3-amino-3-(6-chloro-4-formyl-2,3-dimethoxyphenyl)propanoic acid
CID 117464346
methyl 6-chloro-7-fluoro-4-formyl-1H-indole-2-carboxylate
CID 176811321
6-chloro-7-fluoro-4-methoxy-1H-indole-2-carbaldehyde
CID 135333306
4-(2-aminopropyl)-5-chloro-2,3-dimethoxybenzaldehyde
CID 117397772

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde?
The IUPAC name of 5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde (CID 84684172) is 5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde.
What is the SMILES notation for 5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde?
The canonical SMILES for 5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde is COc1c(Cl)cc(C=O)c(OC)c1F.
What is the InChIKey of 5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde?
The InChIKey is UYSCGWJDOKXKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c1-13-8-5(4-12)3-6(10)9(14-2)7(8)11/h3-4H,1-2H3.
What are the key properties of 5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde?
5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde has a molecular weight of 218.61 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2,4-dimethoxybenzaldehyde is sourced from PubChem (CID 84684172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).