5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde

C10H10FNO — CID 169463454

IUPAC5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde
SMILESNCC=Cc1ccc(F)c(C=O)c1
InChIInChI=1S/C10H10FNO/c11-10-4-3-8(2-1-5-12)6-9(10)7-13/h1-4,6-7H,5,12H2
InChIKeyKKEXQNBDNGSJRP-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.61
Rot. Bonds3

About 5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde

5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde (PubChem CID 169463454) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde
PubChem CID169463454
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde
SMILESNCC=Cc1ccc(F)c(C=O)c1
InChIInChI=1S/C10H10FNO/c11-10-4-3-8(2-1-5-12)6-9(10)7-13/h1-4,6-7H,5,12H2
InChIKeyKKEXQNBDNGSJRP-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'}

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Related Compounds

2-fluoro-5-(4-hydroxybut-1-enyl)benzaldehyde
CID 170476436
(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine
CID 63969673
2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid
CID 169464007
4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde
CID 169463839
3-(2,5-difluorophenyl)prop-2-en-1-amine
CID 76997167
2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetonitrile
CID 169463893
3-(3-aminoprop-1-enyl)-5-fluorobenzaldehyde
CID 169463470
3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine
CID 169463504
(E)-3-(3-fluoro-4-methylsulfonylphenyl)prop-2-en-1-amine
CID 117330415
(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
CID 58952108
(E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine
CID 117282442
S-[3-(3-fluoro-4-formylphenyl)prop-2-enyl] ethanethioate
CID 169457100

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde?
The IUPAC name of 5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde (CID 169463454) is 5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde.
What is the SMILES notation for 5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde?
The canonical SMILES for 5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde is NCC=Cc1ccc(F)c(C=O)c1.
What is the InChIKey of 5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde?
The InChIKey is KKEXQNBDNGSJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-10-4-3-8(2-1-5-12)6-9(10)7-13/h1-4,6-7H,5,12H2.
What are the key properties of 5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde?
5-(3-aminoprop-1-enyl)-2-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 5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde is sourced from PubChem (CID 169463454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).