4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride

C4H12ClF3N2O — CID 87267644

IUPAC4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride
SMILESCl.NNCCCC(F)(F)F.O
InChIInChI=1S/C4H9F3N2.ClH.H2O/c5-4(6,7)2-1-3-9-8;;/h9H,1-3,8H2;1H;1H2
InChIKeyPHKKCCMWYWTCRR-UHFFFAOYSA-N
MW196.60 g/mol
LogP0.39
Rot. Bonds3

About 4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride

4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride (PubChem CID 87267644) has the molecular formula C4H12ClF3N2O and a molecular weight of 196.60 g/mol. Its IUPAC name is 4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride.

Molecular Properties

Compound Name4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride
PubChem CID87267644
Molecular FormulaC4H12ClF3N2O
Molecular Weight196.60 g/mol
Exact Mass196.06
IUPAC Name4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride
SMILESCl.NNCCCC(F)(F)F.O
InChIInChI=1S/C4H9F3N2.ClH.H2O/c5-4(6,7)2-1-3-9-8;;/h9H,1-3,8H2;1H;1H2
InChIKeyPHKKCCMWYWTCRR-UHFFFAOYSA-N
XLogP0.39
TPSA69.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 50.39
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;hydrate;hydrochloride?
The IUPAC name of 4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride (CID 87267644) is 4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride.
What is the SMILES notation for 4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride?
The canonical SMILES for 4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride is Cl.NNCCCC(F)(F)F.O.
What is the InChIKey of 4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride?
The InChIKey is PHKKCCMWYWTCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2.ClH.H2O/c5-4(6,7)2-1-3-9-8;;/h9H,1-3,8H2;1H;1H2.
What are the key properties of 4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride?
4,4,4-trifluorobutylhydrazine;hydrate;hydrochloride has a molecular weight of 196.60 g/mol, XLogP of 0.39, 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;hydrate;hydrochloride is sourced from PubChem (CID 87267644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).