2-(dimethylamino)-3,4-difluorobenzaldehyde

C9H9F2NO — CID 125424523

IUPAC2-(dimethylamino)-3,4-difluorobenzaldehyde
SMILESCN(C)c1c(C=O)ccc(F)c1F
InChIInChI=1S/C9H9F2NO/c1-12(2)9-6(5-13)3-4-7(10)8(9)11/h3-5H,1-2H3
InChIKeyHFFAYSLTRYEWHV-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.84
Rot. Bonds2

About 2-(dimethylamino)-3,4-difluorobenzaldehyde

2-(dimethylamino)-3,4-difluorobenzaldehyde (PubChem CID 125424523) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 2-(dimethylamino)-3,4-difluorobenzaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-3,4-difluorobenzaldehyde
PubChem CID125424523
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name2-(dimethylamino)-3,4-difluorobenzaldehyde
SMILESCN(C)c1c(C=O)ccc(F)c1F
InChIInChI=1S/C9H9F2NO/c1-12(2)9-6(5-13)3-4-7(10)8(9)11/h3-5H,1-2H3
InChIKeyHFFAYSLTRYEWHV-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.84
H-Bond Donors ≤ 50
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-(dimethylamino)-3,4-difluorobenzaldehyde?
The IUPAC name of 2-(dimethylamino)-3,4-difluorobenzaldehyde (CID 125424523) is 2-(dimethylamino)-3,4-difluorobenzaldehyde.
What is the SMILES notation for 2-(dimethylamino)-3,4-difluorobenzaldehyde?
The canonical SMILES for 2-(dimethylamino)-3,4-difluorobenzaldehyde is CN(C)c1c(C=O)ccc(F)c1F.
What is the InChIKey of 2-(dimethylamino)-3,4-difluorobenzaldehyde?
The InChIKey is HFFAYSLTRYEWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-12(2)9-6(5-13)3-4-7(10)8(9)11/h3-5H,1-2H3.
What are the key properties of 2-(dimethylamino)-3,4-difluorobenzaldehyde?
2-(dimethylamino)-3,4-difluorobenzaldehyde has a molecular weight of 185.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3,4-difluorobenzaldehyde is sourced from PubChem (CID 125424523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).