4-(dimethylamino)-2,5-difluorobenzaldehyde

C9H9F2NO — CID 53315152

IUPAC4-(dimethylamino)-2,5-difluorobenzaldehyde
SMILESCN(C)c1cc(F)c(C=O)cc1F
InChIInChI=1S/C9H9F2NO/c1-12(2)9-4-7(10)6(5-13)3-8(9)11/h3-5H,1-2H3
InChIKeyLYZXAPALPIXQRZ-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.84
Rot. Bonds2

About 4-(dimethylamino)-2,5-difluorobenzaldehyde

4-(dimethylamino)-2,5-difluorobenzaldehyde (PubChem CID 53315152) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 4-(dimethylamino)-2,5-difluorobenzaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)-2,5-difluorobenzaldehyde
PubChem CID53315152
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name4-(dimethylamino)-2,5-difluorobenzaldehyde
SMILESCN(C)c1cc(F)c(C=O)cc1F
InChIInChI=1S/C9H9F2NO/c1-12(2)9-4-7(10)6(5-13)3-8(9)11/h3-5H,1-2H3
InChIKeyLYZXAPALPIXQRZ-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 4-(dimethylamino)-2,5-difluorobenzaldehyde?
The IUPAC name of 4-(dimethylamino)-2,5-difluorobenzaldehyde (CID 53315152) is 4-(dimethylamino)-2,5-difluorobenzaldehyde.
What is the SMILES notation for 4-(dimethylamino)-2,5-difluorobenzaldehyde?
The canonical SMILES for 4-(dimethylamino)-2,5-difluorobenzaldehyde is CN(C)c1cc(F)c(C=O)cc1F.
What is the InChIKey of 4-(dimethylamino)-2,5-difluorobenzaldehyde?
The InChIKey is LYZXAPALPIXQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-12(2)9-4-7(10)6(5-13)3-8(9)11/h3-5H,1-2H3.
What are the key properties of 4-(dimethylamino)-2,5-difluorobenzaldehyde?
4-(dimethylamino)-2,5-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 4-(dimethylamino)-2,5-difluorobenzaldehyde is sourced from PubChem (CID 53315152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).