2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde

C13H6Cl2F2O — CID 82107221

IUPAC2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde
SMILESO=Cc1c(Cl)ccc(-c2cc(F)cc(F)c2)c1Cl
InChIInChI=1S/C13H6Cl2F2O/c14-12-2-1-10(13(15)11(12)6-18)7-3-8(16)5-9(17)4-7/h1-6H
InChIKeyFCLDZJMEJQROQN-UHFFFAOYSA-N
MW287.09 g/mol
LogP4.75
Rot. Bonds2

About 2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde

2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde (PubChem CID 82107221) has the molecular formula C13H6Cl2F2O and a molecular weight of 287.09 g/mol. Its IUPAC name is 2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde.

Molecular Properties

Compound Name2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde
PubChem CID82107221
Molecular FormulaC13H6Cl2F2O
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde
SMILESO=Cc1c(Cl)ccc(-c2cc(F)cc(F)c2)c1Cl
InChIInChI=1S/C13H6Cl2F2O/c14-12-2-1-10(13(15)11(12)6-18)7-3-8(16)5-9(17)4-7/h1-6H
InChIKeyFCLDZJMEJQROQN-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 54.75
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 2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde?
The IUPAC name of 2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde (CID 82107221) is 2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde.
What is the SMILES notation for 2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde?
The canonical SMILES for 2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde is O=Cc1c(Cl)ccc(-c2cc(F)cc(F)c2)c1Cl.
What is the InChIKey of 2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde?
The InChIKey is FCLDZJMEJQROQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F2O/c14-12-2-1-10(13(15)11(12)6-18)7-3-8(16)5-9(17)4-7/h1-6H.
What are the key properties of 2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde?
2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde has a molecular weight of 287.09 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(3,5-difluorophenyl)benzaldehyde is sourced from PubChem (CID 82107221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).