1-(3-fluoropropyl)tetrazole-5-carbaldehyde

C5H7FN4O — CID 84650715

IUPAC1-(3-fluoropropyl)tetrazole-5-carbaldehyde
SMILESO=Cc1nnnn1CCCF
InChIInChI=1S/C5H7FN4O/c6-2-1-3-10-5(4-11)7-8-9-10/h4H,1-3H2
InChIKeyJHXOUKBPSHXMEG-UHFFFAOYSA-N
MW158.14 g/mol
LogP-0.15
Rot. Bonds4

About 1-(3-fluoropropyl)tetrazole-5-carbaldehyde

1-(3-fluoropropyl)tetrazole-5-carbaldehyde (PubChem CID 84650715) has the molecular formula C5H7FN4O and a molecular weight of 158.14 g/mol. Its IUPAC name is 1-(3-fluoropropyl)tetrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-(3-fluoropropyl)tetrazole-5-carbaldehyde
PubChem CID84650715
Molecular FormulaC5H7FN4O
Molecular Weight158.14 g/mol
Exact Mass158.06
IUPAC Name1-(3-fluoropropyl)tetrazole-5-carbaldehyde
SMILESO=Cc1nnnn1CCCF
InChIInChI=1S/C5H7FN4O/c6-2-1-3-10-5(4-11)7-8-9-10/h4H,1-3H2
InChIKeyJHXOUKBPSHXMEG-UHFFFAOYSA-N
XLogP-0.15
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 5-0.15
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-(3-fluoropropyl)tetrazole-5-carbaldehyde?
The IUPAC name of 1-(3-fluoropropyl)tetrazole-5-carbaldehyde (CID 84650715) is 1-(3-fluoropropyl)tetrazole-5-carbaldehyde.
What is the SMILES notation for 1-(3-fluoropropyl)tetrazole-5-carbaldehyde?
The canonical SMILES for 1-(3-fluoropropyl)tetrazole-5-carbaldehyde is O=Cc1nnnn1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)tetrazole-5-carbaldehyde?
The InChIKey is JHXOUKBPSHXMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN4O/c6-2-1-3-10-5(4-11)7-8-9-10/h4H,1-3H2.
What are the key properties of 1-(3-fluoropropyl)tetrazole-5-carbaldehyde?
1-(3-fluoropropyl)tetrazole-5-carbaldehyde has a molecular weight of 158.14 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)tetrazole-5-carbaldehyde is sourced from PubChem (CID 84650715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).