2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde

C14H9ClF2O2 — CID 141352961

IUPAC2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde
SMILESO=CCc1ccc(Oc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C14H9ClF2O2/c15-12-8-11(3-1-9(12)5-6-18)19-14-4-2-10(16)7-13(14)17/h1-4,6-8H,5H2
InChIKeyITFILTZPHBQIRP-UHFFFAOYSA-N
MW282.67 g/mol
LogP4.15
Rot. Bonds4

About 2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde

2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde (PubChem CID 141352961) has the molecular formula C14H9ClF2O2 and a molecular weight of 282.67 g/mol. Its IUPAC name is 2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde
PubChem CID141352961
Molecular FormulaC14H9ClF2O2
Molecular Weight282.67 g/mol
Exact Mass282.03
IUPAC Name2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde
SMILESO=CCc1ccc(Oc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C14H9ClF2O2/c15-12-8-11(3-1-9(12)5-6-18)19-14-4-2-10(16)7-13(14)17/h1-4,6-8H,5H2
InChIKeyITFILTZPHBQIRP-UHFFFAOYSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
CID 63877969
2-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]acetaldehyde
CID 86049649
2-(2,4-dichlorophenyl)acetaldehyde
CID 15948879
2-chloro-4-(2,4-difluorophenoxy)benzenecarbothioamide
CID 62948650
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
4-(2,4-difluorophenoxy)benzoyl chloride
CID 90119275
5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine
CID 19875991
2-(2-ethoxy-5-fluorophenyl)acetaldehyde
CID 83876013
2-(2-butoxy-5-fluorophenyl)acetaldehyde
CID 122648996
[2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine
CID 55145340
3-[2-chloro-4-(3-fluorophenoxy)phenoxy]propanal
CID 19746302

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde?
The IUPAC name of 2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde (CID 141352961) is 2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde is O=CCc1ccc(Oc2ccc(F)cc2F)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde?
The InChIKey is ITFILTZPHBQIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2/c15-12-8-11(3-1-9(12)5-6-18)19-14-4-2-10(16)7-13(14)17/h1-4,6-8H,5H2.
What are the key properties of 2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde?
2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde has a molecular weight of 282.67 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2,4-difluorophenoxy)phenyl]acetaldehyde is sourced from PubChem (CID 141352961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).