1-fluoropropane;iron

C3H6FFe- — CID 175076623

IUPAC1-fluoropropane;iron
SMILES[CH2-]CCF.[Fe]
InChIInChI=1S/C3H6F.Fe/c1-2-3-4;/h1-3H2;/q-1;
InChIKeyMYQKTVKVMHPHKP-UHFFFAOYSA-N
MW116.92 g/mol
LogP1.18
Rot. Bonds1

About 1-fluoropropane;iron

1-fluoropropane;iron (PubChem CID 175076623) has the molecular formula C3H6FFe- and a molecular weight of 116.92 g/mol. Its IUPAC name is 1-fluoropropane;iron.

Molecular Properties

Compound Name1-fluoropropane;iron
PubChem CID175076623
Molecular FormulaC3H6FFe-
Molecular Weight116.92 g/mol
Exact Mass116.98
IUPAC Name1-fluoropropane;iron
SMILES[CH2-]CCF.[Fe]
InChIInChI=1S/C3H6F.Fe/c1-2-3-4;/h1-3H2;/q-1;
InChIKeyMYQKTVKVMHPHKP-UHFFFAOYSA-N
XLogP1.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.92
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-fluoropropane;iron 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 1-fluoropropane;iron?
The IUPAC name of 1-fluoropropane;iron (CID 175076623) is 1-fluoropropane;iron.
What is the SMILES notation for 1-fluoropropane;iron?
The canonical SMILES for 1-fluoropropane;iron is [CH2-]CCF.[Fe].
What is the InChIKey of 1-fluoropropane;iron?
The InChIKey is MYQKTVKVMHPHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F.Fe/c1-2-3-4;/h1-3H2;/q-1;.
What are the key properties of 1-fluoropropane;iron?
1-fluoropropane;iron has a molecular weight of 116.92 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropane;iron is sourced from PubChem (CID 175076623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).