1-(3-fluoropropyl)-2,5-dihydrotetrazole

C4H9FN4 — CID 174531706

IUPAC1-(3-fluoropropyl)-2,5-dihydrotetrazole
SMILESFCCCN1CN=NN1
InChIInChI=1S/C4H9FN4/c5-2-1-3-9-4-6-7-8-9/h1-4H2,(H,6,8)
InChIKeyJTMMSPWXJASBCQ-UHFFFAOYSA-N
MW132.14 g/mol
LogP0.49
Rot. Bonds3

About 1-(3-fluoropropyl)-2,5-dihydrotetrazole

1-(3-fluoropropyl)-2,5-dihydrotetrazole (PubChem CID 174531706) has the molecular formula C4H9FN4 and a molecular weight of 132.14 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2,5-dihydrotetrazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2,5-dihydrotetrazole
PubChem CID174531706
Molecular FormulaC4H9FN4
Molecular Weight132.14 g/mol
Exact Mass132.08
IUPAC Name1-(3-fluoropropyl)-2,5-dihydrotetrazole
SMILESFCCCN1CN=NN1
InChIInChI=1S/C4H9FN4/c5-2-1-3-9-4-6-7-8-9/h1-4H2,(H,6,8)
InChIKeyJTMMSPWXJASBCQ-UHFFFAOYSA-N
XLogP0.49
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2,5-dihydrotetrazole?
The IUPAC name of 1-(3-fluoropropyl)-2,5-dihydrotetrazole (CID 174531706) is 1-(3-fluoropropyl)-2,5-dihydrotetrazole.
What is the SMILES notation for 1-(3-fluoropropyl)-2,5-dihydrotetrazole?
The canonical SMILES for 1-(3-fluoropropyl)-2,5-dihydrotetrazole is FCCCN1CN=NN1.
What is the InChIKey of 1-(3-fluoropropyl)-2,5-dihydrotetrazole?
The InChIKey is JTMMSPWXJASBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN4/c5-2-1-3-9-4-6-7-8-9/h1-4H2,(H,6,8).
What are the key properties of 1-(3-fluoropropyl)-2,5-dihydrotetrazole?
1-(3-fluoropropyl)-2,5-dihydrotetrazole has a molecular weight of 132.14 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2,5-dihydrotetrazole is sourced from PubChem (CID 174531706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).