3-chloro-4-ethyl-2-fluorobenzaldehyde

C9H8ClFO — CID 178189070

IUPAC3-chloro-4-ethyl-2-fluorobenzaldehyde
SMILESCCc1ccc(C=O)c(F)c1Cl
InChIInChI=1S/C9H8ClFO/c1-2-6-3-4-7(5-12)9(11)8(6)10/h3-5H,2H2,1H3
InChIKeyUQIMARUHABCOEF-UHFFFAOYSA-N
MW186.61 g/mol
LogP2.85
Rot. Bonds2

About 3-chloro-4-ethyl-2-fluorobenzaldehyde

3-chloro-4-ethyl-2-fluorobenzaldehyde (PubChem CID 178189070) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 3-chloro-4-ethyl-2-fluorobenzaldehyde.

Molecular Properties

Compound Name3-chloro-4-ethyl-2-fluorobenzaldehyde
PubChem CID178189070
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name3-chloro-4-ethyl-2-fluorobenzaldehyde
SMILESCCc1ccc(C=O)c(F)c1Cl
InChIInChI=1S/C9H8ClFO/c1-2-6-3-4-7(5-12)9(11)8(6)10/h3-5H,2H2,1H3
InChIKeyUQIMARUHABCOEF-UHFFFAOYSA-N
XLogP2.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethyl-2-fluorobenzaldehyde?
The IUPAC name of 3-chloro-4-ethyl-2-fluorobenzaldehyde (CID 178189070) is 3-chloro-4-ethyl-2-fluorobenzaldehyde.
What is the SMILES notation for 3-chloro-4-ethyl-2-fluorobenzaldehyde?
The canonical SMILES for 3-chloro-4-ethyl-2-fluorobenzaldehyde is CCc1ccc(C=O)c(F)c1Cl.
What is the InChIKey of 3-chloro-4-ethyl-2-fluorobenzaldehyde?
The InChIKey is UQIMARUHABCOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c1-2-6-3-4-7(5-12)9(11)8(6)10/h3-5H,2H2,1H3.
What are the key properties of 3-chloro-4-ethyl-2-fluorobenzaldehyde?
3-chloro-4-ethyl-2-fluorobenzaldehyde has a molecular weight of 186.61 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethyl-2-fluorobenzaldehyde is sourced from PubChem (CID 178189070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).