1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde

C5H6F2N4O — CID 84655434

IUPAC1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde
SMILESCC(F)(F)Cn1nnnc1C=O
InChIInChI=1S/C5H6F2N4O/c1-5(6,7)3-11-4(2-12)8-9-10-11/h2H,3H2,1H3
InChIKeyHTEWBWMHIZTUTE-UHFFFAOYSA-N
MW176.13 g/mol
LogP0.14
Rot. Bonds3

About 1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde

1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde (PubChem CID 84655434) has the molecular formula C5H6F2N4O and a molecular weight of 176.13 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde
PubChem CID84655434
Molecular FormulaC5H6F2N4O
Molecular Weight176.13 g/mol
Exact Mass176.05
IUPAC Name1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde
SMILESCC(F)(F)Cn1nnnc1C=O
InChIInChI=1S/C5H6F2N4O/c1-5(6,7)3-11-4(2-12)8-9-10-11/h2H,3H2,1H3
InChIKeyHTEWBWMHIZTUTE-UHFFFAOYSA-N
XLogP0.14
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 50.14
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-(2,2-difluoropropyl)tetrazole-5-carbaldehyde?
The IUPAC name of 1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde (CID 84655434) is 1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde.
What is the SMILES notation for 1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde?
The canonical SMILES for 1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde is CC(F)(F)Cn1nnnc1C=O.
What is the InChIKey of 1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde?
The InChIKey is HTEWBWMHIZTUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O/c1-5(6,7)3-11-4(2-12)8-9-10-11/h2H,3H2,1H3.
What are the key properties of 1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde?
1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde has a molecular weight of 176.13 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)tetrazole-5-carbaldehyde is sourced from PubChem (CID 84655434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).