2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde

C8H6F2O2 — CID 83874123

IUPAC2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde
SMILESO=CCc1c(O)ccc(F)c1F
InChIInChI=1S/C8H6F2O2/c9-6-1-2-7(12)5(3-4-11)8(6)10/h1-2,4,12H,3H2
InChIKeyJANXCZXIWRLJHD-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.41
Rot. Bonds2

About 2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde

2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde (PubChem CID 83874123) has the molecular formula C8H6F2O2 and a molecular weight of 172.13 g/mol. Its IUPAC name is 2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde
PubChem CID83874123
Molecular FormulaC8H6F2O2
Molecular Weight172.13 g/mol
Exact Mass172.03
IUPAC Name2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde
SMILESO=CCc1c(O)ccc(F)c1F
InChIInChI=1S/C8H6F2O2/c9-6-1-2-7(12)5(3-4-11)8(6)10/h1-2,4,12H,3H2
InChIKeyJANXCZXIWRLJHD-UHFFFAOYSA-N
XLogP1.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde (CID 83874123) is 2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde is O=CCc1c(O)ccc(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde?
The InChIKey is JANXCZXIWRLJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O2/c9-6-1-2-7(12)5(3-4-11)8(6)10/h1-2,4,12H,3H2.
What are the key properties of 2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde?
2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde has a molecular weight of 172.13 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 83874123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).