3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde

C11H13F2NO — CID 88905482

IUPAC3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde
SMILESCN(C)Cc1cc(C=O)cc(C(F)F)c1
InChIInChI=1S/C11H13F2NO/c1-14(2)6-8-3-9(7-15)5-10(4-8)11(12)13/h3-5,7,11H,6H2,1-2H3
InChIKeyWDZIGWYQHGFNQB-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.50
Rot. Bonds4

About 3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde

3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde (PubChem CID 88905482) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde.

Molecular Properties

Compound Name3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde
PubChem CID88905482
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde
SMILESCN(C)Cc1cc(C=O)cc(C(F)F)c1
InChIInChI=1S/C11H13F2NO/c1-14(2)6-8-3-9(7-15)5-10(4-8)11(12)13/h3-5,7,11H,6H2,1-2H3
InChIKeyWDZIGWYQHGFNQB-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.50
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 3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde?
The IUPAC name of 3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde (CID 88905482) is 3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde.
What is the SMILES notation for 3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde?
The canonical SMILES for 3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde is CN(C)Cc1cc(C=O)cc(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde?
The InChIKey is WDZIGWYQHGFNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-14(2)6-8-3-9(7-15)5-10(4-8)11(12)13/h3-5,7,11H,6H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde?
3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde has a molecular weight of 213.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-[(dimethylamino)methyl]benzaldehyde is sourced from PubChem (CID 88905482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).