3-fluoro-N-prop-2-enylpropan-1-amine

C6H12FN — CID 81106914

IUPAC3-fluoro-N-prop-2-enylpropan-1-amine
SMILESC=CCNCCCF
InChIInChI=1S/C6H12FN/c1-2-5-8-6-3-4-7/h2,8H,1,3-6H2
InChIKeyZLSVMQOFGPEGLT-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.12
Rot. Bonds5

About 3-fluoro-N-prop-2-enylpropan-1-amine

3-fluoro-N-prop-2-enylpropan-1-amine (PubChem CID 81106914) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 3-fluoro-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-prop-2-enylpropan-1-amine
PubChem CID81106914
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name3-fluoro-N-prop-2-enylpropan-1-amine
SMILESC=CCNCCCF
InChIInChI=1S/C6H12FN/c1-2-5-8-6-3-4-7/h2,8H,1,3-6H2
InChIKeyZLSVMQOFGPEGLT-UHFFFAOYSA-N
XLogP1.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-prop-2-enylpropan-1-amine 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 3-fluoro-N-prop-2-enylpropan-1-amine?
The IUPAC name of 3-fluoro-N-prop-2-enylpropan-1-amine (CID 81106914) is 3-fluoro-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 3-fluoro-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 3-fluoro-N-prop-2-enylpropan-1-amine is C=CCNCCCF.
What is the InChIKey of 3-fluoro-N-prop-2-enylpropan-1-amine?
The InChIKey is ZLSVMQOFGPEGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-2-5-8-6-3-4-7/h2,8H,1,3-6H2.
What are the key properties of 3-fluoro-N-prop-2-enylpropan-1-amine?
3-fluoro-N-prop-2-enylpropan-1-amine has a molecular weight of 117.17 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 81106914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).