2-(4-chlorophenyl)-2,2-difluoroacetaldehyde

C8H5ClF2O — CID 23237846

IUPAC2-(4-chlorophenyl)-2,2-difluoroacetaldehyde
SMILESO=CC(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C8H5ClF2O/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-5H
InChIKeyHWPOMOCUUKVVGK-UHFFFAOYSA-N
MW190.58 g/mol
LogP2.63
Rot. Bonds2

About 2-(4-chlorophenyl)-2,2-difluoroacetaldehyde

2-(4-chlorophenyl)-2,2-difluoroacetaldehyde (PubChem CID 23237846) has the molecular formula C8H5ClF2O and a molecular weight of 190.58 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2,2-difluoroacetaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2,2-difluoroacetaldehyde
PubChem CID23237846
Molecular FormulaC8H5ClF2O
Molecular Weight190.58 g/mol
Exact Mass190.00
IUPAC Name2-(4-chlorophenyl)-2,2-difluoroacetaldehyde
SMILESO=CC(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C8H5ClF2O/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-5H
InChIKeyHWPOMOCUUKVVGK-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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 2-(4-chlorophenyl)-2,2-difluoroacetaldehyde?
The IUPAC name of 2-(4-chlorophenyl)-2,2-difluoroacetaldehyde (CID 23237846) is 2-(4-chlorophenyl)-2,2-difluoroacetaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)-2,2-difluoroacetaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)-2,2-difluoroacetaldehyde is O=CC(F)(F)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2,2-difluoroacetaldehyde?
The InChIKey is HWPOMOCUUKVVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O/c9-7-3-1-6(2-4-7)8(10,11)5-12/h1-5H.
What are the key properties of 2-(4-chlorophenyl)-2,2-difluoroacetaldehyde?
2-(4-chlorophenyl)-2,2-difluoroacetaldehyde has a molecular weight of 190.58 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2,2-difluoroacetaldehyde is sourced from PubChem (CID 23237846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).