N-[(E)-4-fluorobut-1-enyl]cyclopropanamine

C7H12FN — CID 135200060

IUPACN-[(E)-4-fluorobut-1-enyl]cyclopropanamine
SMILESFCC/C=C/NC1CC1
InChIInChI=1S/C7H12FN/c8-5-1-2-6-9-7-3-4-7/h2,6-7,9H,1,3-5H2/b6-2+
InChIKeyWZGFSBCLZFWHGL-QHHAFSJGSA-N
MW129.18 g/mol
LogP1.61
Rot. Bonds4

About N-[(E)-4-fluorobut-1-enyl]cyclopropanamine

N-[(E)-4-fluorobut-1-enyl]cyclopropanamine (PubChem CID 135200060) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is N-[(E)-4-fluorobut-1-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(E)-4-fluorobut-1-enyl]cyclopropanamine
PubChem CID135200060
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC NameN-[(E)-4-fluorobut-1-enyl]cyclopropanamine
SMILESFCC/C=C/NC1CC1
InChIInChI=1S/C7H12FN/c8-5-1-2-6-9-7-3-4-7/h2,6-7,9H,1,3-5H2/b6-2+
InChIKeyWZGFSBCLZFWHGL-QHHAFSJGSA-N
XLogP1.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(E)-4-fluorobut-1-enyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-fluorobut-1-enyl]cyclopropanamine?
The IUPAC name of N-[(E)-4-fluorobut-1-enyl]cyclopropanamine (CID 135200060) is N-[(E)-4-fluorobut-1-enyl]cyclopropanamine.
What is the SMILES notation for N-[(E)-4-fluorobut-1-enyl]cyclopropanamine?
The canonical SMILES for N-[(E)-4-fluorobut-1-enyl]cyclopropanamine is FCC/C=C/NC1CC1.
What is the InChIKey of N-[(E)-4-fluorobut-1-enyl]cyclopropanamine?
The InChIKey is WZGFSBCLZFWHGL-QHHAFSJGSA-N. The full InChI is InChI=1S/C7H12FN/c8-5-1-2-6-9-7-3-4-7/h2,6-7,9H,1,3-5H2/b6-2+.
What are the key properties of N-[(E)-4-fluorobut-1-enyl]cyclopropanamine?
N-[(E)-4-fluorobut-1-enyl]cyclopropanamine has a molecular weight of 129.18 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-fluorobut-1-enyl]cyclopropanamine is sourced from PubChem (CID 135200060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).