2-(4-chloro-2,5-difluorophenyl)acetaldehyde

C8H5ClF2O — CID 88923166

IUPAC2-(4-chloro-2,5-difluorophenyl)acetaldehyde
SMILESO=CCc1cc(F)c(Cl)cc1F
InChIInChI=1S/C8H5ClF2O/c9-6-4-7(10)5(1-2-12)3-8(6)11/h2-4H,1H2
InChIKeyJYPXIUIMVZLXQM-UHFFFAOYSA-N
MW190.58 g/mol
LogP2.36
Rot. Bonds2

About 2-(4-chloro-2,5-difluorophenyl)acetaldehyde

2-(4-chloro-2,5-difluorophenyl)acetaldehyde (PubChem CID 88923166) has the molecular formula C8H5ClF2O and a molecular weight of 190.58 g/mol. Its IUPAC name is 2-(4-chloro-2,5-difluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-chloro-2,5-difluorophenyl)acetaldehyde
PubChem CID88923166
Molecular FormulaC8H5ClF2O
Molecular Weight190.58 g/mol
Exact Mass190.00
IUPAC Name2-(4-chloro-2,5-difluorophenyl)acetaldehyde
SMILESO=CCc1cc(F)c(Cl)cc1F
InChIInChI=1S/C8H5ClF2O/c9-6-4-7(10)5(1-2-12)3-8(6)11/h2-4H,1H2
InChIKeyJYPXIUIMVZLXQM-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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Related Compounds

2-(5-bromo-2,4-difluorophenyl)acetaldehyde
CID 87241512
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde
CID 90219665
2-(5-amino-2-fluoro-4-methylphenyl)acetaldehyde
CID 87214166
3-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 84778847
2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde
CID 83891004
2-(4-bromo-2-fluorophenyl)acetaldehyde
CID 28875384
2-(3-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87309009
O-[2-(4-chloro-2,5-difluorophenyl)ethyl]hydroxylamine
CID 117296930
1-chloro-2,4-difluoro-5-(fluoromethyl)benzene
CID 118802249
2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde
CID 59299255
2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
CID 166062863

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-difluorophenyl)acetaldehyde?
The IUPAC name of 2-(4-chloro-2,5-difluorophenyl)acetaldehyde (CID 88923166) is 2-(4-chloro-2,5-difluorophenyl)acetaldehyde.
What is the SMILES notation for 2-(4-chloro-2,5-difluorophenyl)acetaldehyde?
The canonical SMILES for 2-(4-chloro-2,5-difluorophenyl)acetaldehyde is O=CCc1cc(F)c(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2,5-difluorophenyl)acetaldehyde?
The InChIKey is JYPXIUIMVZLXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O/c9-6-4-7(10)5(1-2-12)3-8(6)11/h2-4H,1H2.
What are the key properties of 2-(4-chloro-2,5-difluorophenyl)acetaldehyde?
2-(4-chloro-2,5-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-(4-chloro-2,5-difluorophenyl)acetaldehyde is sourced from PubChem (CID 88923166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).