3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde

C10H10FNO — CID 169463470

IUPAC3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde
SMILESNCC=Cc1cc(F)cc(C=O)c1
InChIInChI=1S/C10H10FNO/c11-10-5-8(2-1-3-12)4-9(6-10)7-13/h1-2,4-7H,3,12H2
InChIKeyCKQSBXFQYCDXSV-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.61
Rot. Bonds3

About 3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde

3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde (PubChem CID 169463470) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde
PubChem CID169463470
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde
SMILESNCC=Cc1cc(F)cc(C=O)c1
InChIInChI=1S/C10H10FNO/c11-10-5-8(2-1-3-12)4-9(6-10)7-13/h1-2,4-7H,3,12H2
InChIKeyCKQSBXFQYCDXSV-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine
CID 82668283
3-(3-aminoprop-1-enyl)-5-bromobenzaldehyde
CID 169464639
3-(3-bromoprop-1-enyl)-5-fluorobenzaldehyde
CID 169475387
3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473500
4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde
CID 169463839
(E)-3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 115350765
5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde
CID 169463454
(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
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
CID 27282124
4-(3-chloro-5-fluorophenyl)but-3-enal
CID 170481430
(E)-3-(3-bromo-4,5-difluorophenyl)prop-2-en-1-amine
CID 117372631

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde?
The IUPAC name of 3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde (CID 169463470) is 3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde.
What is the SMILES notation for 3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde?
The canonical SMILES for 3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde is NCC=Cc1cc(F)cc(C=O)c1.
What is the InChIKey of 3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde?
The InChIKey is CKQSBXFQYCDXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-10-5-8(2-1-3-12)4-9(6-10)7-13/h1-2,4-7H,3,12H2.
What are the key properties of 3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde?
3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde has a molecular weight of 179.19 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde is sourced from PubChem (CID 169463470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).