5-(3-fluoropropyl)-2H-tetrazole

C4H7FN4 — CID 81109495

IUPAC5-(3-fluoropropyl)-2H-tetrazole
SMILESFCCCc1nn[nH]n1
InChIInChI=1S/C4H7FN4/c5-3-1-2-4-6-8-9-7-4/h1-3H2,(H,6,7,8,9)
InChIKeyPOWVWZWSZLMPMT-UHFFFAOYSA-N
MW130.13 g/mol
LogP0.10
Rot. Bonds3

About 5-(3-fluoropropyl)-2H-tetrazole

5-(3-fluoropropyl)-2H-tetrazole (PubChem CID 81109495) has the molecular formula C4H7FN4 and a molecular weight of 130.13 g/mol. Its IUPAC name is 5-(3-fluoropropyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-fluoropropyl)-2H-tetrazole
PubChem CID81109495
Molecular FormulaC4H7FN4
Molecular Weight130.13 g/mol
Exact Mass130.07
IUPAC Name5-(3-fluoropropyl)-2H-tetrazole
SMILESFCCCc1nn[nH]n1
InChIInChI=1S/C4H7FN4/c5-3-1-2-4-6-8-9-7-4/h1-3H2,(H,6,7,8,9)
InChIKeyPOWVWZWSZLMPMT-UHFFFAOYSA-N
XLogP0.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
5-pentyl-2H-tetrazole
CID 139080284
1-amino-5-(2H-tetrazol-5-yl)pentan-2-one
CID 167627003
5-(2-iodoethyl)-2H-tetrazole
CID 118328240
5-(5-methylhexyl)-2H-tetrazole
CID 21044006
1-amino-6-(2H-tetrazol-5-yl)hexan-3-one
CID 167706452
2H-tetrazol-5-ylmethanamine
CID 5146781
5-(3-pyrrolidin-1-ylpropyl)-2H-tetrazole
CID 61494091
5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole
CID 13101701
5-(4-butoxybutyl)-2H-tetrazole
CID 90689565
5-[3-(4-chlorophenyl)propyl]-2H-tetrazole
CID 69284170
5-(6-hexoxyhexyl)-2H-tetrazole
CID 68731797

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropyl)-2H-tetrazole?
The IUPAC name of 5-(3-fluoropropyl)-2H-tetrazole (CID 81109495) is 5-(3-fluoropropyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-fluoropropyl)-2H-tetrazole?
The canonical SMILES for 5-(3-fluoropropyl)-2H-tetrazole is FCCCc1nn[nH]n1.
What is the InChIKey of 5-(3-fluoropropyl)-2H-tetrazole?
The InChIKey is POWVWZWSZLMPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN4/c5-3-1-2-4-6-8-9-7-4/h1-3H2,(H,6,7,8,9).
What are the key properties of 5-(3-fluoropropyl)-2H-tetrazole?
5-(3-fluoropropyl)-2H-tetrazole has a molecular weight of 130.13 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropyl)-2H-tetrazole is sourced from PubChem (CID 81109495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).