4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine

C10H14FN3 — CID 170486888

IUPAC4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine
SMILESNCCC=Cc1ccc(NN)c(F)c1
InChIInChI=1S/C10H14FN3/c11-9-7-8(3-1-2-6-12)4-5-10(9)14-13/h1,3-5,7,14H,2,6,12-13H2
InChIKeySIPHAJMRWNJWOQ-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.47
Rot. Bonds4

About 4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine

4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine (PubChem CID 170486888) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine
PubChem CID170486888
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine
SMILESNCCC=Cc1ccc(NN)c(F)c1
InChIInChI=1S/C10H14FN3/c11-9-7-8(3-1-2-6-12)4-5-10(9)14-13/h1,3-5,7,14H,2,6,12-13H2
InChIKeySIPHAJMRWNJWOQ-UHFFFAOYSA-N
XLogP1.47
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine?
The IUPAC name of 4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine (CID 170486888) is 4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine.
What is the SMILES notation for 4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine?
The canonical SMILES for 4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine is NCCC=Cc1ccc(NN)c(F)c1.
What is the InChIKey of 4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine?
The InChIKey is SIPHAJMRWNJWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c11-9-7-8(3-1-2-6-12)4-5-10(9)14-13/h1,3-5,7,14H,2,6,12-13H2.
What are the key properties of 4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine?
4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine has a molecular weight of 195.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-hydrazinylphenyl)but-3-en-1-amine is sourced from PubChem (CID 170486888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).