1-(2-fluoroethyl)tetrazole-5-carbaldehyde

C4H5FN4O — CID 84648927

IUPAC1-(2-fluoroethyl)tetrazole-5-carbaldehyde
SMILESO=Cc1nnnn1CCF
InChIInChI=1S/C4H5FN4O/c5-1-2-9-4(3-10)6-7-8-9/h3H,1-2H2
InChIKeyYRKNLPKYXASHAA-UHFFFAOYSA-N
MW144.11 g/mol
LogP-0.54
Rot. Bonds3

About 1-(2-fluoroethyl)tetrazole-5-carbaldehyde

1-(2-fluoroethyl)tetrazole-5-carbaldehyde (PubChem CID 84648927) has the molecular formula C4H5FN4O and a molecular weight of 144.11 g/mol. Its IUPAC name is 1-(2-fluoroethyl)tetrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-(2-fluoroethyl)tetrazole-5-carbaldehyde
PubChem CID84648927
Molecular FormulaC4H5FN4O
Molecular Weight144.11 g/mol
Exact Mass144.04
IUPAC Name1-(2-fluoroethyl)tetrazole-5-carbaldehyde
SMILESO=Cc1nnnn1CCF
InChIInChI=1S/C4H5FN4O/c5-1-2-9-4(3-10)6-7-8-9/h3H,1-2H2
InChIKeyYRKNLPKYXASHAA-UHFFFAOYSA-N
XLogP-0.54
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.11
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)tetrazole-5-carbaldehyde?
The IUPAC name of 1-(2-fluoroethyl)tetrazole-5-carbaldehyde (CID 84648927) is 1-(2-fluoroethyl)tetrazole-5-carbaldehyde.
What is the SMILES notation for 1-(2-fluoroethyl)tetrazole-5-carbaldehyde?
The canonical SMILES for 1-(2-fluoroethyl)tetrazole-5-carbaldehyde is O=Cc1nnnn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)tetrazole-5-carbaldehyde?
The InChIKey is YRKNLPKYXASHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN4O/c5-1-2-9-4(3-10)6-7-8-9/h3H,1-2H2.
What are the key properties of 1-(2-fluoroethyl)tetrazole-5-carbaldehyde?
1-(2-fluoroethyl)tetrazole-5-carbaldehyde has a molecular weight of 144.11 g/mol, XLogP of -0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)tetrazole-5-carbaldehyde is sourced from PubChem (CID 84648927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).