4-ethoxy-2,3-difluorobenzaldehyde

C9H8F2O2 — CID 14495625

IUPAC4-ethoxy-2,3-difluorobenzaldehyde
SMILESCCOc1ccc(C=O)c(F)c1F
InChIInChI=1S/C9H8F2O2/c1-2-13-7-4-3-6(5-12)8(10)9(7)11/h3-5H,2H2,1H3
InChIKeyDYASUFNACNHJMK-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.18
Rot. Bonds3

About 4-ethoxy-2,3-difluorobenzaldehyde

4-ethoxy-2,3-difluorobenzaldehyde (PubChem CID 14495625) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 4-ethoxy-2,3-difluorobenzaldehyde.

Molecular Properties

Compound Name4-ethoxy-2,3-difluorobenzaldehyde
PubChem CID14495625
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name4-ethoxy-2,3-difluorobenzaldehyde
SMILESCCOc1ccc(C=O)c(F)c1F
InChIInChI=1S/C9H8F2O2/c1-2-13-7-4-3-6(5-12)8(10)9(7)11/h3-5H,2H2,1H3
InChIKeyDYASUFNACNHJMK-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.18
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

3-acetyl-4-ethoxy-2-fluorobenzaldehyde
CID 171003136
(4-ethoxy-2,3-difluorophenyl)methanimine
CID 130242678
(E)-3-(4-ethoxy-2,3-difluorophenyl)prop-2-enoic acid
CID 46737624
4-ethoxy-2,3-dihydroxybenzaldehyde
CID 44887021
4-chloro-2-ethoxy-3-fluorobenzaldehyde
CID 163198085
2,3-difluoro-4-tri(propan-2-yl)silyloxybenzaldehyde
CID 59336031
(3,6-diethoxy-2-fluorophenyl)methanol
CID 164895475
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
(4-ethoxy-2,3-difluorophenoxy)-oxoborane
CID 139945985
2-ethoxy-5-sulfanylbenzaldehyde
CID 155017600
sodium 2-ethoxy-6-formylphenolate
CID 102504150
5-(4-ethoxy-2,3-difluorophenyl)tellurophene-2-carbaldehyde
CID 59456309

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,3-difluorobenzaldehyde?
The IUPAC name of 4-ethoxy-2,3-difluorobenzaldehyde (CID 14495625) is 4-ethoxy-2,3-difluorobenzaldehyde.
What is the SMILES notation for 4-ethoxy-2,3-difluorobenzaldehyde?
The canonical SMILES for 4-ethoxy-2,3-difluorobenzaldehyde is CCOc1ccc(C=O)c(F)c1F.
What is the InChIKey of 4-ethoxy-2,3-difluorobenzaldehyde?
The InChIKey is DYASUFNACNHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-2-13-7-4-3-6(5-12)8(10)9(7)11/h3-5H,2H2,1H3.
What are the key properties of 4-ethoxy-2,3-difluorobenzaldehyde?
4-ethoxy-2,3-difluorobenzaldehyde has a molecular weight of 186.16 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,3-difluorobenzaldehyde is sourced from PubChem (CID 14495625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).