3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride

C4H9Cl2F5N2 — CID 170914154

IUPAC3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride
SMILESCl.Cl.NNCCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H7F5N2.2ClH/c5-3(6,1-2-11-10)4(7,8)9;;/h11H,1-2,10H2;2*1H
InChIKeyMFBXZWHNCMRWDO-UHFFFAOYSA-N
MW251.03 g/mol
LogP1.88
Rot. Bonds3

About 3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride

3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride (PubChem CID 170914154) has the molecular formula C4H9Cl2F5N2 and a molecular weight of 251.03 g/mol. Its IUPAC name is 3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride.

Molecular Properties

Compound Name3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride
PubChem CID170914154
Molecular FormulaC4H9Cl2F5N2
Molecular Weight251.03 g/mol
Exact Mass250.01
IUPAC Name3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride
SMILESCl.Cl.NNCCC(F)(F)C(F)(F)F
InChIInChI=1S/C4H7F5N2.2ClH/c5-3(6,1-2-11-10)4(7,8)9;;/h11H,1-2,10H2;2*1H
InChIKeyMFBXZWHNCMRWDO-UHFFFAOYSA-N
XLogP1.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride?
The IUPAC name of 3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride (CID 170914154) is 3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride.
What is the SMILES notation for 3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride?
The canonical SMILES for 3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride is Cl.Cl.NNCCC(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride?
The InChIKey is MFBXZWHNCMRWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F5N2.2ClH/c5-3(6,1-2-11-10)4(7,8)9;;/h11H,1-2,10H2;2*1H.
What are the key properties of 3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride?
3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride has a molecular weight of 251.03 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,4-pentafluorobutylhydrazine;dihydrochloride is sourced from PubChem (CID 170914154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).