2-chloro-3-ethoxy-5-fluorobenzaldehyde

C9H8ClFO2 — CID 171005753

IUPAC2-chloro-3-ethoxy-5-fluorobenzaldehyde
SMILESCCOc1cc(F)cc(C=O)c1Cl
InChIInChI=1S/C9H8ClFO2/c1-2-13-8-4-7(11)3-6(5-12)9(8)10/h3-5H,2H2,1H3
InChIKeyKDAYOTUOQAVIRW-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.69
Rot. Bonds3

About 2-chloro-3-ethoxy-5-fluorobenzaldehyde

2-chloro-3-ethoxy-5-fluorobenzaldehyde (PubChem CID 171005753) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 2-chloro-3-ethoxy-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-chloro-3-ethoxy-5-fluorobenzaldehyde
PubChem CID171005753
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name2-chloro-3-ethoxy-5-fluorobenzaldehyde
SMILESCCOc1cc(F)cc(C=O)c1Cl
InChIInChI=1S/C9H8ClFO2/c1-2-13-8-4-7(11)3-6(5-12)9(8)10/h3-5H,2H2,1H3
InChIKeyKDAYOTUOQAVIRW-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

bicyclo[3.1.0]hexa-1(6),2,4-triene;2-chloro-3-ethoxybenzaldehyde
CID 87224592
4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625
3-bromo-2-chloro-5-fluorobenzaldehyde
CID 118797003
2-butoxy-3-chloro-5-fluorobenzaldehyde
CID 90384298
4-chloro-2-ethoxy-3-fluorobenzaldehyde
CID 163198085
2-ethoxy-4-fluoro-5-iodobenzaldehyde
CID 131313075
4-fluoro-2-propoxybenzaldehyde
CID 74889364
2-amino-4-chloro-5-ethoxybenzaldehyde
CID 130139421
3-chloro-5-ethoxy-4-fluorobenzaldehyde
CID 164895508
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
4-ethoxy-5-fluoro-2-(trifluoromethyl)benzaldehyde
CID 166904905
2,4-dichloro-1,5-diethoxy-3-methylbenzene
CID 90436867

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethoxy-5-fluorobenzaldehyde?
The IUPAC name of 2-chloro-3-ethoxy-5-fluorobenzaldehyde (CID 171005753) is 2-chloro-3-ethoxy-5-fluorobenzaldehyde.
What is the SMILES notation for 2-chloro-3-ethoxy-5-fluorobenzaldehyde?
The canonical SMILES for 2-chloro-3-ethoxy-5-fluorobenzaldehyde is CCOc1cc(F)cc(C=O)c1Cl.
What is the InChIKey of 2-chloro-3-ethoxy-5-fluorobenzaldehyde?
The InChIKey is KDAYOTUOQAVIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-2-13-8-4-7(11)3-6(5-12)9(8)10/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-3-ethoxy-5-fluorobenzaldehyde?
2-chloro-3-ethoxy-5-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 2-chloro-3-ethoxy-5-fluorobenzaldehyde is sourced from PubChem (CID 171005753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).