CID 173401341

C3H4AlF — CID 173401341

IUPAC—
SMILESC=CC(F)[Al]
InChIInChI=1S/C3H4F.Al/c1-2-3-4;/h2-3H,1H2;
InChIKeySVSBVXRWIDRNRH-UHFFFAOYSA-N
MW86.05 g/mol
LogP0.64
Rot. Bonds1

About CID 173401341

CID 173401341 (PubChem CID 173401341) has the molecular formula C3H4AlF and a molecular weight of 86.05 g/mol.

Molecular Properties

Compound NameCID 173401341
PubChem CID173401341
Molecular FormulaC3H4AlF
Molecular Weight86.05 g/mol
Exact Mass86.01
IUPAC Name—
SMILESC=CC(F)[Al]
InChIInChI=1S/C3H4F.Al/c1-2-3-4;/h2-3H,1H2;
InChIKeySVSBVXRWIDRNRH-UHFFFAOYSA-N
XLogP0.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.05
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173401341?
The IUPAC name of CID 173401341 (CID 173401341) is not available.
What is the SMILES notation for CID 173401341?
The canonical SMILES for CID 173401341 is C=CC(F)[Al].
What is the InChIKey of CID 173401341?
The InChIKey is SVSBVXRWIDRNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F.Al/c1-2-3-4;/h2-3H,1H2;.
What are the key properties of CID 173401341?
CID 173401341 has a molecular weight of 86.05 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173401341 is sourced from PubChem (CID 173401341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).