2-(3-chloro-2,6-difluorophenyl)acetaldehyde

C8H5ClF2O — CID 55274754

IUPAC2-(3-chloro-2,6-difluorophenyl)acetaldehyde
SMILESO=CCc1c(F)ccc(Cl)c1F
InChIInChI=1S/C8H5ClF2O/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2,4H,3H2
InChIKeyPITZVTYVEPDLQR-UHFFFAOYSA-N
MW190.58 g/mol
LogP2.36
Rot. Bonds2

About 2-(3-chloro-2,6-difluorophenyl)acetaldehyde

2-(3-chloro-2,6-difluorophenyl)acetaldehyde (PubChem CID 55274754) has the molecular formula C8H5ClF2O and a molecular weight of 190.58 g/mol. Its IUPAC name is 2-(3-chloro-2,6-difluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-chloro-2,6-difluorophenyl)acetaldehyde
PubChem CID55274754
Molecular FormulaC8H5ClF2O
Molecular Weight190.58 g/mol
Exact Mass190.00
IUPAC Name2-(3-chloro-2,6-difluorophenyl)acetaldehyde
SMILESO=CCc1c(F)ccc(Cl)c1F
InChIInChI=1S/C8H5ClF2O/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2,4H,3H2
InChIKeyPITZVTYVEPDLQR-UHFFFAOYSA-N
XLogP2.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.58
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,6-difluorophenyl)acetaldehyde?
The IUPAC name of 2-(3-chloro-2,6-difluorophenyl)acetaldehyde (CID 55274754) is 2-(3-chloro-2,6-difluorophenyl)acetaldehyde.
What is the SMILES notation for 2-(3-chloro-2,6-difluorophenyl)acetaldehyde?
The canonical SMILES for 2-(3-chloro-2,6-difluorophenyl)acetaldehyde is O=CCc1c(F)ccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2,6-difluorophenyl)acetaldehyde?
The InChIKey is PITZVTYVEPDLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2,4H,3H2.
What are the key properties of 2-(3-chloro-2,6-difluorophenyl)acetaldehyde?
2-(3-chloro-2,6-difluorophenyl)acetaldehyde has a molecular weight of 190.58 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,6-difluorophenyl)acetaldehyde is sourced from PubChem (CID 55274754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).