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

C4H4F2N4O — CID 84651318

IUPAC1-(2,2-difluoroethyl)tetrazole-5-carbaldehyde
SMILESO=Cc1nnnn1CC(F)F
InChIInChI=1S/C4H4F2N4O/c5-3(6)1-10-4(2-11)7-8-9-10/h2-3H,1H2
InChIKeyJDPJPOPJLRWUPD-UHFFFAOYSA-N
MW162.10 g/mol
LogP-0.25
Rot. Bonds3

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

1-(2,2-difluoroethyl)tetrazole-5-carbaldehyde (PubChem CID 84651318) has the molecular formula C4H4F2N4O and a molecular weight of 162.10 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)tetrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)tetrazole-5-carbaldehyde
PubChem CID84651318
Molecular FormulaC4H4F2N4O
Molecular Weight162.10 g/mol
Exact Mass162.04
IUPAC Name1-(2,2-difluoroethyl)tetrazole-5-carbaldehyde
SMILESO=Cc1nnnn1CC(F)F
InChIInChI=1S/C4H4F2N4O/c5-3(6)1-10-4(2-11)7-8-9-10/h2-3H,1H2
InChIKeyJDPJPOPJLRWUPD-UHFFFAOYSA-N
XLogP-0.25
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 ≤ 5-0.25
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-difluoroethyl)tetrazole-5-carbaldehyde?
The IUPAC name of 1-(2,2-difluoroethyl)tetrazole-5-carbaldehyde (CID 84651318) is 1-(2,2-difluoroethyl)tetrazole-5-carbaldehyde.
What is the SMILES notation for 1-(2,2-difluoroethyl)tetrazole-5-carbaldehyde?
The canonical SMILES for 1-(2,2-difluoroethyl)tetrazole-5-carbaldehyde is O=Cc1nnnn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)tetrazole-5-carbaldehyde?
The InChIKey is JDPJPOPJLRWUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N4O/c5-3(6)1-10-4(2-11)7-8-9-10/h2-3H,1H2.
What are the key properties of 1-(2,2-difluoroethyl)tetrazole-5-carbaldehyde?
1-(2,2-difluoroethyl)tetrazole-5-carbaldehyde has a molecular weight of 162.10 g/mol, XLogP of -0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)tetrazole-5-carbaldehyde is sourced from PubChem (CID 84651318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).