2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde

C13H6F4O — CID 172909483

IUPAC2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(F)cc1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H6F4O/c14-9-1-7(2-10(15)4-9)11-5-13(17)12(16)3-8(11)6-18/h1-6H
InChIKeyAEJCLOPRIOVSLI-UHFFFAOYSA-N
MW254.18 g/mol
LogP3.72
Rot. Bonds2

About 2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde

2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde (PubChem CID 172909483) has the molecular formula C13H6F4O and a molecular weight of 254.18 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde
PubChem CID172909483
Molecular FormulaC13H6F4O
Molecular Weight254.18 g/mol
Exact Mass254.04
IUPAC Name2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde
SMILESO=Cc1cc(F)c(F)cc1-c1cc(F)cc(F)c1
InChIInChI=1S/C13H6F4O/c14-9-1-7(2-10(15)4-9)11-5-13(17)12(16)3-8(11)6-18/h1-6H
InChIKeyAEJCLOPRIOVSLI-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-4,5-difluorobenzaldehyde
CID 172909463
2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde
CID 172909457
2-fluoro-5-(2,4,5-trifluorophenyl)benzaldehyde
CID 115503115
2-(1-ethylpyrazol-4-yl)-4,5-difluorobenzaldehyde
CID 172909498
4-(3,5-difluorophenyl)-3-methylbenzaldehyde
CID 81448215
2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde
CID 172909442
4,6-difluorobenzene-1,3-dicarbaldehyde
CID 11030259
4-(3,5-difluorophenyl)benzaldehyde
CID 11367947
2-bromo-3,5-difluorobenzaldehyde
CID 58572675
3,5-difluoro-2-iodobenzaldehyde
CID 130769283
2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde
CID 82107221
4-(2-chloro-4,5-difluorophenyl)-2-fluorobenzaldehyde
CID 107476828

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde?
The IUPAC name of 2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde (CID 172909483) is 2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde.
What is the SMILES notation for 2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde?
The canonical SMILES for 2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde is O=Cc1cc(F)c(F)cc1-c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde?
The InChIKey is AEJCLOPRIOVSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4O/c14-9-1-7(2-10(15)4-9)11-5-13(17)12(16)3-8(11)6-18/h1-6H.
What are the key properties of 2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde?
2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde has a molecular weight of 254.18 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-4,5-difluorobenzaldehyde is sourced from PubChem (CID 172909483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).