5-fluoro-5-propan-2-yltetrazole

C4H7FN4 — CID 69381519

IUPAC5-fluoro-5-propan-2-yltetrazole
SMILESCC(C)C1(F)N=NN=N1
InChIInChI=1S/C4H7FN4/c1-3(2)4(5)6-8-9-7-4/h3H,1-2H3
InChIKeyILGWEKYZBDHPNP-UHFFFAOYSA-N
MW130.13 g/mol
LogP2.10
Rot. Bonds1

About 5-fluoro-5-propan-2-yltetrazole

5-fluoro-5-propan-2-yltetrazole (PubChem CID 69381519) has the molecular formula C4H7FN4 and a molecular weight of 130.13 g/mol. Its IUPAC name is 5-fluoro-5-propan-2-yltetrazole.

Molecular Properties

Compound Name5-fluoro-5-propan-2-yltetrazole
PubChem CID69381519
Molecular FormulaC4H7FN4
Molecular Weight130.13 g/mol
Exact Mass130.07
IUPAC Name5-fluoro-5-propan-2-yltetrazole
SMILESCC(C)C1(F)N=NN=N1
InChIInChI=1S/C4H7FN4/c1-3(2)4(5)6-8-9-7-4/h3H,1-2H3
InChIKeyILGWEKYZBDHPNP-UHFFFAOYSA-N
XLogP2.10
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-propan-2-yltetrazole?
The IUPAC name of 5-fluoro-5-propan-2-yltetrazole (CID 69381519) is 5-fluoro-5-propan-2-yltetrazole.
What is the SMILES notation for 5-fluoro-5-propan-2-yltetrazole?
The canonical SMILES for 5-fluoro-5-propan-2-yltetrazole is CC(C)C1(F)N=NN=N1.
What is the InChIKey of 5-fluoro-5-propan-2-yltetrazole?
The InChIKey is ILGWEKYZBDHPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN4/c1-3(2)4(5)6-8-9-7-4/h3H,1-2H3.
What are the key properties of 5-fluoro-5-propan-2-yltetrazole?
5-fluoro-5-propan-2-yltetrazole has a molecular weight of 130.13 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-propan-2-yltetrazole is sourced from PubChem (CID 69381519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).