4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde

C10H9F2NO — CID 169463839

IUPAC4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde
SMILESNCC=Cc1cc(F)c(C=O)c(F)c1
InChIInChI=1S/C10H9F2NO/c11-9-4-7(2-1-3-13)5-10(12)8(9)6-14/h1-2,4-6H,3,13H2
InChIKeyCGTCKBPUINCVGM-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.75
Rot. Bonds3

About 4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde

4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde (PubChem CID 169463839) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde.

Molecular Properties

Compound Name4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde
PubChem CID169463839
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde
SMILESNCC=Cc1cc(F)c(C=O)c(F)c1
InChIInChI=1S/C10H9F2NO/c11-9-4-7(2-1-3-13)5-10(12)8(9)6-14/h1-2,4-6H,3,13H2
InChIKeyCGTCKBPUINCVGM-UHFFFAOYSA-N
XLogP1.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminobut-1-enyl)-2,6-difluorobenzaldehyde
CID 170487241
3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde
CID 169463470
(E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine
CID 117279410
5-[(E)-3-aminoprop-1-enyl]-2,3-difluoroaniline
CID 115111057
2,6-difluoro-4-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496067
5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde
CID 169463454
(E)-3-(3-fluoro-4-methylsulfonylphenyl)prop-2-en-1-amine
CID 117330415
(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine
CID 82668283
(E)-3-(3-bromo-4,5-difluorophenyl)prop-2-en-1-amine
CID 117372631
3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde
CID 169464639
3-(3,5-difluoro-4-formylphenyl)prop-2-enenitrile
CID 169483726
2-(3-aminoprop-1-enyl)-6-fluoro-3-methylbenzaldehyde
CID 169463814

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde?
The IUPAC name of 4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde (CID 169463839) is 4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde.
What is the SMILES notation for 4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde?
The canonical SMILES for 4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde is NCC=Cc1cc(F)c(C=O)c(F)c1.
What is the InChIKey of 4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde?
The InChIKey is CGTCKBPUINCVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c11-9-4-7(2-1-3-13)5-10(12)8(9)6-14/h1-2,4-6H,3,13H2.
What are the key properties of 4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde?
4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde has a molecular weight of 197.18 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde is sourced from PubChem (CID 169463839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).