3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine

C9H12FN3 — CID 169463504

IUPAC3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine
SMILESNCC=Cc1ccc(NN)c(F)c1
InChIInChI=1S/C9H12FN3/c10-8-6-7(2-1-5-11)3-4-9(8)13-12/h1-4,6,13H,5,11-12H2
InChIKeyJAZHXRWTXBITRX-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.08
Rot. Bonds3

About 3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine

3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine (PubChem CID 169463504) has the molecular formula C9H12FN3 and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine
PubChem CID169463504
Molecular FormulaC9H12FN3
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine
SMILESNCC=Cc1ccc(NN)c(F)c1
InChIInChI=1S/C9H12FN3/c10-8-6-7(2-1-5-11)3-4-9(8)13-12/h1-4,6,13H,5,11-12H2
InChIKeyJAZHXRWTXBITRX-UHFFFAOYSA-N
XLogP1.08
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine
CID 170486888
(E)-3-(3,5-difluoro-4-methylphenyl)prop-2-en-1-amine
CID 117279410
(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine
CID 63969673
(E)-3-(4-cyclopropyl-3-fluorophenyl)prop-2-en-1-amine
CID 117282442
2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetonitrile
CID 169463893
5-(3-aminoprop-1-enyl)-2-fluorobenzaldehyde
CID 169463454
(E)-3-(3-fluoro-4-methylsulfonylphenyl)prop-2-en-1-amine
CID 117330415
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydrazinylphenyl)prop-2-enyl]carbamate
CID 169469493
5-[(E)-3-aminoprop-1-enyl]-2,3-difluoroaniline
CID 115111057
2-[5-(3-aminoprop-1-enyl)-2-fluorophenyl]acetic acid
CID 169464007
4-(3-aminoprop-1-enyl)-2,6-difluorobenzaldehyde
CID 169463839
(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine
CID 82668283

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine?
The IUPAC name of 3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine (CID 169463504) is 3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine.
What is the SMILES notation for 3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine?
The canonical SMILES for 3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine is NCC=Cc1ccc(NN)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine?
The InChIKey is JAZHXRWTXBITRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3/c10-8-6-7(2-1-5-11)3-4-9(8)13-12/h1-4,6,13H,5,11-12H2.
What are the key properties of 3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine?
3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine has a molecular weight of 181.21 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-hydrazinylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 169463504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).