ethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate

C7H11FN4O2 — CID 81110157

IUPACethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CCCF
InChIInChI=1S/C7H11FN4O2/c1-2-14-7(13)6-9-10-11-12(6)5-3-4-8/h2-5H2,1H3
InChIKeyWGRSCDMNSXVYNP-UHFFFAOYSA-N
MW202.19 g/mol
LogP0.21
Rot. Bonds5

About ethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate

ethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate (PubChem CID 81110157) has the molecular formula C7H11FN4O2 and a molecular weight of 202.19 g/mol. Its IUPAC name is ethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate
PubChem CID81110157
Molecular FormulaC7H11FN4O2
Molecular Weight202.19 g/mol
Exact Mass202.09
IUPAC Nameethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CCCF
InChIInChI=1S/C7H11FN4O2/c1-2-14-7(13)6-9-10-11-12(6)5-3-4-8/h2-5H2,1H3
InChIKeyWGRSCDMNSXVYNP-UHFFFAOYSA-N
XLogP0.21
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate (CID 81110157) is ethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate is CCOC(=O)c1nnnn1CCCF.
What is the InChIKey of ethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate?
The InChIKey is WGRSCDMNSXVYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O2/c1-2-14-7(13)6-9-10-11-12(6)5-3-4-8/h2-5H2,1H3.
What are the key properties of ethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate?
ethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate has a molecular weight of 202.19 g/mol, XLogP of 0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-fluoropropyl)tetrazole-5-carboxylate is sourced from PubChem (CID 81110157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).