4-chloro-2-ethoxy-3-fluorobenzaldehyde

C9H8ClFO2 — CID 163198085

IUPAC4-chloro-2-ethoxy-3-fluorobenzaldehyde
SMILESCCOc1c(C=O)ccc(Cl)c1F
InChIInChI=1S/C9H8ClFO2/c1-2-13-9-6(5-12)3-4-7(10)8(9)11/h3-5H,2H2,1H3
InChIKeyYTALHSSWOUXVQS-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.69
Rot. Bonds3

About 4-chloro-2-ethoxy-3-fluorobenzaldehyde

4-chloro-2-ethoxy-3-fluorobenzaldehyde (PubChem CID 163198085) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 4-chloro-2-ethoxy-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-chloro-2-ethoxy-3-fluorobenzaldehyde
PubChem CID163198085
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name4-chloro-2-ethoxy-3-fluorobenzaldehyde
SMILESCCOc1c(C=O)ccc(Cl)c1F
InChIInChI=1S/C9H8ClFO2/c1-2-13-9-6(5-12)3-4-7(10)8(9)11/h3-5H,2H2,1H3
InChIKeyYTALHSSWOUXVQS-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-fluoro-2-phenylmethoxybenzaldehyde
CID 163198266
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625
2,3-diethoxy-4-pyrrol-1-ylbenzaldehyde
CID 87311944
2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde
CID 172653782
4-chloro-3-fluoro-2-methylsulfanylbenzaldehyde
CID 164890843
CID 174673959
CID 174673959
2-chloro-3-ethoxy-5-fluorobenzaldehyde
CID 171005753
5-tert-butyl-3-chloro-2-ethoxybenzaldehyde
CID 99122041
3-chloro-4-ethyl-2-fluorobenzaldehyde
CID 178189070
3-acetyl-2-ethoxy-4-(trifluoromethyl)benzaldehyde
CID 171022119
3-acetyl-4-ethoxy-2-fluorobenzaldehyde
CID 171003136

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethoxy-3-fluorobenzaldehyde?
The IUPAC name of 4-chloro-2-ethoxy-3-fluorobenzaldehyde (CID 163198085) is 4-chloro-2-ethoxy-3-fluorobenzaldehyde.
What is the SMILES notation for 4-chloro-2-ethoxy-3-fluorobenzaldehyde?
The canonical SMILES for 4-chloro-2-ethoxy-3-fluorobenzaldehyde is CCOc1c(C=O)ccc(Cl)c1F.
What is the InChIKey of 4-chloro-2-ethoxy-3-fluorobenzaldehyde?
The InChIKey is YTALHSSWOUXVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-2-13-9-6(5-12)3-4-7(10)8(9)11/h3-5H,2H2,1H3.
What are the key properties of 4-chloro-2-ethoxy-3-fluorobenzaldehyde?
4-chloro-2-ethoxy-3-fluorobenzaldehyde has a molecular weight of 202.61 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethoxy-3-fluorobenzaldehyde is sourced from PubChem (CID 163198085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).