4,4,4-trifluorobutylhydrazine;dihydrochloride

C4H11Cl2F3N2 — CID 87096200

IUPAC4,4,4-trifluorobutylhydrazine;dihydrochloride
SMILESCl.Cl.NNCCCC(F)(F)F
InChIInChI=1S/C4H9F3N2.2ClH/c5-4(6,7)2-1-3-9-8;;/h9H,1-3,8H2;2*1H
InChIKeyIDKFOSFMIXBGCS-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.64
Rot. Bonds3

About 4,4,4-trifluorobutylhydrazine;dihydrochloride

4,4,4-trifluorobutylhydrazine;dihydrochloride (PubChem CID 87096200) has the molecular formula C4H11Cl2F3N2 and a molecular weight of 215.05 g/mol. Its IUPAC name is 4,4,4-trifluorobutylhydrazine;dihydrochloride.

Molecular Properties

Compound Name4,4,4-trifluorobutylhydrazine;dihydrochloride
PubChem CID87096200
Molecular FormulaC4H11Cl2F3N2
Molecular Weight215.05 g/mol
Exact Mass214.03
IUPAC Name4,4,4-trifluorobutylhydrazine;dihydrochloride
SMILESCl.Cl.NNCCCC(F)(F)F
InChIInChI=1S/C4H9F3N2.2ClH/c5-4(6,7)2-1-3-9-8;;/h9H,1-3,8H2;2*1H
InChIKeyIDKFOSFMIXBGCS-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 4,4,4-trifluorobutylhydrazine;dihydrochloride?
The IUPAC name of 4,4,4-trifluorobutylhydrazine;dihydrochloride (CID 87096200) is 4,4,4-trifluorobutylhydrazine;dihydrochloride.
What is the SMILES notation for 4,4,4-trifluorobutylhydrazine;dihydrochloride?
The canonical SMILES for 4,4,4-trifluorobutylhydrazine;dihydrochloride is Cl.Cl.NNCCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluorobutylhydrazine;dihydrochloride?
The InChIKey is IDKFOSFMIXBGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2.2ClH/c5-4(6,7)2-1-3-9-8;;/h9H,1-3,8H2;2*1H.
What are the key properties of 4,4,4-trifluorobutylhydrazine;dihydrochloride?
4,4,4-trifluorobutylhydrazine;dihydrochloride has a molecular weight of 215.05 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluorobutylhydrazine;dihydrochloride is sourced from PubChem (CID 87096200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).