2,3-difluoro-4-(methylamino)benzaldehyde

C8H7F2NO — CID 141426329

IUPAC2,3-difluoro-4-(methylamino)benzaldehyde
SMILESCNc1ccc(C=O)c(F)c1F
InChIInChI=1S/C8H7F2NO/c1-11-6-3-2-5(4-12)7(9)8(6)10/h2-4,11H,1H3
InChIKeyPZDXBAKGVOGEGJ-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.82
Rot. Bonds2

About 2,3-difluoro-4-(methylamino)benzaldehyde

2,3-difluoro-4-(methylamino)benzaldehyde (PubChem CID 141426329) has the molecular formula C8H7F2NO and a molecular weight of 171.15 g/mol. Its IUPAC name is 2,3-difluoro-4-(methylamino)benzaldehyde.

Molecular Properties

Compound Name2,3-difluoro-4-(methylamino)benzaldehyde
PubChem CID141426329
Molecular FormulaC8H7F2NO
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2,3-difluoro-4-(methylamino)benzaldehyde
SMILESCNc1ccc(C=O)c(F)c1F
InChIInChI=1S/C8H7F2NO/c1-11-6-3-2-5(4-12)7(9)8(6)10/h2-4,11H,1H3
InChIKeyPZDXBAKGVOGEGJ-UHFFFAOYSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(methylamino)benzaldehyde?
The IUPAC name of 2,3-difluoro-4-(methylamino)benzaldehyde (CID 141426329) is 2,3-difluoro-4-(methylamino)benzaldehyde.
What is the SMILES notation for 2,3-difluoro-4-(methylamino)benzaldehyde?
The canonical SMILES for 2,3-difluoro-4-(methylamino)benzaldehyde is CNc1ccc(C=O)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(methylamino)benzaldehyde?
The InChIKey is PZDXBAKGVOGEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO/c1-11-6-3-2-5(4-12)7(9)8(6)10/h2-4,11H,1H3.
What are the key properties of 2,3-difluoro-4-(methylamino)benzaldehyde?
2,3-difluoro-4-(methylamino)benzaldehyde has a molecular weight of 171.15 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(methylamino)benzaldehyde is sourced from PubChem (CID 141426329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).