5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde

C13H8F2O2 — CID 53220383

IUPAC5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2c(F)cccc2F)ccc1O
InChIInChI=1S/C13H8F2O2/c14-10-2-1-3-11(15)13(10)8-4-5-12(17)9(6-8)7-16/h1-7,17H
InChIKeyFRNMFGYIEMPVIU-UHFFFAOYSA-N
MW234.20 g/mol
LogP3.15
Rot. Bonds2

About 5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde

5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde (PubChem CID 53220383) has the molecular formula C13H8F2O2 and a molecular weight of 234.20 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde
PubChem CID53220383
Molecular FormulaC13H8F2O2
Molecular Weight234.20 g/mol
Exact Mass234.05
IUPAC Name5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2c(F)cccc2F)ccc1O
InChIInChI=1S/C13H8F2O2/c14-10-2-1-3-11(15)13(10)8-4-5-12(17)9(6-8)7-16/h1-7,17H
InChIKeyFRNMFGYIEMPVIU-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 53.15
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 5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde?
The IUPAC name of 5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde (CID 53220383) is 5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde is O=Cc1cc(-c2c(F)cccc2F)ccc1O.
What is the InChIKey of 5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde?
The InChIKey is FRNMFGYIEMPVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O2/c14-10-2-1-3-11(15)13(10)8-4-5-12(17)9(6-8)7-16/h1-7,17H.
What are the key properties of 5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde?
5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde has a molecular weight of 234.20 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 53220383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).