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

C5H7FN4O — CID 84650714

IUPAC1-(2-fluoropropyl)tetrazole-5-carbaldehyde
SMILESCC(F)Cn1nnnc1C=O
InChIInChI=1S/C5H7FN4O/c1-4(6)2-10-5(3-11)7-8-9-10/h3-4H,2H2,1H3
InChIKeySEWZLKNJVZZFEQ-UHFFFAOYSA-N
MW158.14 g/mol
LogP-0.16
Rot. Bonds3

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

1-(2-fluoropropyl)tetrazole-5-carbaldehyde (PubChem CID 84650714) has the molecular formula C5H7FN4O and a molecular weight of 158.14 g/mol. Its IUPAC name is 1-(2-fluoropropyl)tetrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-(2-fluoropropyl)tetrazole-5-carbaldehyde
PubChem CID84650714
Molecular FormulaC5H7FN4O
Molecular Weight158.14 g/mol
Exact Mass158.06
IUPAC Name1-(2-fluoropropyl)tetrazole-5-carbaldehyde
SMILESCC(F)Cn1nnnc1C=O
InChIInChI=1S/C5H7FN4O/c1-4(6)2-10-5(3-11)7-8-9-10/h3-4H,2H2,1H3
InChIKeySEWZLKNJVZZFEQ-UHFFFAOYSA-N
XLogP-0.16
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 5-0.16
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-fluoropropyl)tetrazole-5-carbaldehyde?
The IUPAC name of 1-(2-fluoropropyl)tetrazole-5-carbaldehyde (CID 84650714) is 1-(2-fluoropropyl)tetrazole-5-carbaldehyde.
What is the SMILES notation for 1-(2-fluoropropyl)tetrazole-5-carbaldehyde?
The canonical SMILES for 1-(2-fluoropropyl)tetrazole-5-carbaldehyde is CC(F)Cn1nnnc1C=O.
What is the InChIKey of 1-(2-fluoropropyl)tetrazole-5-carbaldehyde?
The InChIKey is SEWZLKNJVZZFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O/c1-4(6)2-10-5(3-11)7-8-9-10/h3-4H,2H2,1H3.
What are the key properties of 1-(2-fluoropropyl)tetrazole-5-carbaldehyde?
1-(2-fluoropropyl)tetrazole-5-carbaldehyde has a molecular weight of 158.14 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropyl)tetrazole-5-carbaldehyde is sourced from PubChem (CID 84650714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).