4-ethyl-2,6-difluorobenzaldehyde

C9H8F2O — CID 88881021

IUPAC4-ethyl-2,6-difluorobenzaldehyde
SMILESCCc1cc(F)c(C=O)c(F)c1
InChIInChI=1S/C9H8F2O/c1-2-6-3-8(10)7(5-12)9(11)4-6/h3-5H,2H2,1H3
InChIKeyCFKFZXLACWSCPN-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.34
Rot. Bonds2

About 4-ethyl-2,6-difluorobenzaldehyde

4-ethyl-2,6-difluorobenzaldehyde (PubChem CID 88881021) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 4-ethyl-2,6-difluorobenzaldehyde.

Molecular Properties

Compound Name4-ethyl-2,6-difluorobenzaldehyde
PubChem CID88881021
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name4-ethyl-2,6-difluorobenzaldehyde
SMILESCCc1cc(F)c(C=O)c(F)c1
InChIInChI=1S/C9H8F2O/c1-2-6-3-8(10)7(5-12)9(11)4-6/h3-5H,2H2,1H3
InChIKeyCFKFZXLACWSCPN-UHFFFAOYSA-N
XLogP2.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.34
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 4-ethyl-2,6-difluorobenzaldehyde?
The IUPAC name of 4-ethyl-2,6-difluorobenzaldehyde (CID 88881021) is 4-ethyl-2,6-difluorobenzaldehyde.
What is the SMILES notation for 4-ethyl-2,6-difluorobenzaldehyde?
The canonical SMILES for 4-ethyl-2,6-difluorobenzaldehyde is CCc1cc(F)c(C=O)c(F)c1.
What is the InChIKey of 4-ethyl-2,6-difluorobenzaldehyde?
The InChIKey is CFKFZXLACWSCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c1-2-6-3-8(10)7(5-12)9(11)4-6/h3-5H,2H2,1H3.
What are the key properties of 4-ethyl-2,6-difluorobenzaldehyde?
4-ethyl-2,6-difluorobenzaldehyde has a molecular weight of 170.16 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-difluorobenzaldehyde is sourced from PubChem (CID 88881021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).