2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde

C4H4F2N4O — CID 165139378

IUPAC2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde
SMILESO=CCn1nnnc1C(F)F
InChIInChI=1S/C4H4F2N4O/c5-3(6)4-7-8-9-10(4)1-2-11/h2-3H,1H2
InChIKeyPUTBIFJSGJOMOP-UHFFFAOYSA-N
MW162.10 g/mol
LogP-0.19
Rot. Bonds3

About 2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde

2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde (PubChem CID 165139378) has the molecular formula C4H4F2N4O and a molecular weight of 162.10 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde
PubChem CID165139378
Molecular FormulaC4H4F2N4O
Molecular Weight162.10 g/mol
Exact Mass162.04
IUPAC Name2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde
SMILESO=CCn1nnnc1C(F)F
InChIInChI=1S/C4H4F2N4O/c5-3(6)4-7-8-9-10(4)1-2-11/h2-3H,1H2
InChIKeyPUTBIFJSGJOMOP-UHFFFAOYSA-N
XLogP-0.19
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.10
LogP ≤ 5-0.19
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 2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde?
The IUPAC name of 2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde (CID 165139378) is 2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde.
What is the SMILES notation for 2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde?
The canonical SMILES for 2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde is O=CCn1nnnc1C(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde?
The InChIKey is PUTBIFJSGJOMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N4O/c5-3(6)4-7-8-9-10(4)1-2-11/h2-3H,1H2.
What are the key properties of 2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde?
2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde has a molecular weight of 162.10 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)tetrazol-1-yl]acetaldehyde is sourced from PubChem (CID 165139378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).