2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde

C10H11F2NO — CID 117288299

IUPAC2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde
SMILESCC(CN)c1cc(F)c(F)cc1C=O
InChIInChI=1S/C10H11F2NO/c1-6(4-13)8-3-10(12)9(11)2-7(8)5-14/h2-3,5-6H,4,13H2,1H3
InChIKeyZOHHDSPNQXJMTE-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.84
Rot. Bonds3

About 2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde

2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde (PubChem CID 117288299) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde.

Molecular Properties

Compound Name2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde
PubChem CID117288299
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde
SMILESCC(CN)c1cc(F)c(F)cc1C=O
InChIInChI=1S/C10H11F2NO/c1-6(4-13)8-3-10(12)9(11)2-7(8)5-14/h2-3,5-6H,4,13H2,1H3
InChIKeyZOHHDSPNQXJMTE-UHFFFAOYSA-N
XLogP1.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.84
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-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde?
The IUPAC name of 2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde (CID 117288299) is 2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde.
What is the SMILES notation for 2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde?
The canonical SMILES for 2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde is CC(CN)c1cc(F)c(F)cc1C=O.
What is the InChIKey of 2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde?
The InChIKey is ZOHHDSPNQXJMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-6(4-13)8-3-10(12)9(11)2-7(8)5-14/h2-3,5-6H,4,13H2,1H3.
What are the key properties of 2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde?
2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde has a molecular weight of 199.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde is sourced from PubChem (CID 117288299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).