3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde

C11H13F2NO — CID 63052056

IUPAC3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde
SMILESCC(C)N(C)c1c(F)cc(C=O)cc1F
InChIInChI=1S/C11H13F2NO/c1-7(2)14(3)11-9(12)4-8(6-15)5-10(11)13/h4-7H,1-3H3
InChIKeyGFWODVIBNXVAGG-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.62
Rot. Bonds3

About 3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde

3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde (PubChem CID 63052056) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde
PubChem CID63052056
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde
SMILESCC(C)N(C)c1c(F)cc(C=O)cc1F
InChIInChI=1S/C11H13F2NO/c1-7(2)14(3)11-9(12)4-8(6-15)5-10(11)13/h4-7H,1-3H3
InChIKeyGFWODVIBNXVAGG-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.62
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 3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde?
The IUPAC name of 3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde (CID 63052056) is 3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde.
What is the SMILES notation for 3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde?
The canonical SMILES for 3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde is CC(C)N(C)c1c(F)cc(C=O)cc1F.
What is the InChIKey of 3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde?
The InChIKey is GFWODVIBNXVAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-7(2)14(3)11-9(12)4-8(6-15)5-10(11)13/h4-7H,1-3H3.
What are the key properties of 3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde?
3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde has a molecular weight of 213.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[methyl(propan-2-yl)amino]benzaldehyde is sourced from PubChem (CID 63052056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).