[2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine

C5H8ClF2N5 — CID 130603794

IUPAC[2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine
SMILESCn1ncc(C(NN)C(F)(F)Cl)n1
InChIInChI=1S/C5H8ClF2N5/c1-13-10-2-3(12-13)4(11-9)5(6,7)8/h2,4,11H,9H2,1H3
InChIKeyVCIQSJNOWQQYNV-UHFFFAOYSA-N
MW211.60 g/mol
LogP0.15
Rot. Bonds3

About [2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine

[2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine (PubChem CID 130603794) has the molecular formula C5H8ClF2N5 and a molecular weight of 211.60 g/mol. Its IUPAC name is [2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine
PubChem CID130603794
Molecular FormulaC5H8ClF2N5
Molecular Weight211.60 g/mol
Exact Mass211.04
IUPAC Name[2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine
SMILESCn1ncc(C(NN)C(F)(F)Cl)n1
InChIInChI=1S/C5H8ClF2N5/c1-13-10-2-3(12-13)4(11-9)5(6,7)8/h2,4,11H,9H2,1H3
InChIKeyVCIQSJNOWQQYNV-UHFFFAOYSA-N
XLogP0.15
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine (CID 130603794) is [2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine is Cn1ncc(C(NN)C(F)(F)Cl)n1.
What is the InChIKey of [2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine?
The InChIKey is VCIQSJNOWQQYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClF2N5/c1-13-10-2-3(12-13)4(11-9)5(6,7)8/h2,4,11H,9H2,1H3.
What are the key properties of [2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine?
[2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine has a molecular weight of 211.60 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-2,2-difluoro-1-(2-methyltriazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 130603794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).