4,4,4-trifluorobutylhydrazine;hydrochloride

C4H10ClF3N2 — CID 154804837

IUPAC4,4,4-trifluorobutylhydrazine;hydrochloride
SMILESCl.NNCCCC(F)(F)F
InChIInChI=1S/C4H9F3N2.ClH/c5-4(6,7)2-1-3-9-8;/h9H,1-3,8H2;1H
InChIKeyRUTGHRIPOYACIQ-UHFFFAOYSA-N
MW178.58 g/mol
LogP1.21
Rot. Bonds3

About 4,4,4-trifluorobutylhydrazine;hydrochloride

4,4,4-trifluorobutylhydrazine;hydrochloride (PubChem CID 154804837) has the molecular formula C4H10ClF3N2 and a molecular weight of 178.58 g/mol. Its IUPAC name is 4,4,4-trifluorobutylhydrazine;hydrochloride.

Molecular Properties

Compound Name4,4,4-trifluorobutylhydrazine;hydrochloride
PubChem CID154804837
Molecular FormulaC4H10ClF3N2
Molecular Weight178.58 g/mol
Exact Mass178.05
IUPAC Name4,4,4-trifluorobutylhydrazine;hydrochloride
SMILESCl.NNCCCC(F)(F)F
InChIInChI=1S/C4H9F3N2.ClH/c5-4(6,7)2-1-3-9-8;/h9H,1-3,8H2;1H
InChIKeyRUTGHRIPOYACIQ-UHFFFAOYSA-N
XLogP1.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.58
LogP ≤ 51.21
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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Related Compounds

N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115520284
2,2,2-trifluoroethylhydrazine;dihydrochloride
CID 50988433
4-(4,4,4-trifluorobutylamino)butanamide
CID 115513564
2,3,4,5,6-pentafluoro-N-(4,4,4-trifluorobutyl)aniline
CID 115520487
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274
1,1,1,6,6,6-hexafluorohexan-2-ylhydrazine
CID 105215662
N'-(2-aminoethyl)-N-(4,4,4-trifluorobutyl)oxamide
CID 115514932
1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
3,3,3-tri(18F)fluoropropan-1-amine
CID 10154023
4,4-difluorobutylhydrazine;dihydrochloride
CID 146082170

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluorobutylhydrazine;hydrochloride?
The IUPAC name of 4,4,4-trifluorobutylhydrazine;hydrochloride (CID 154804837) is 4,4,4-trifluorobutylhydrazine;hydrochloride.
What is the SMILES notation for 4,4,4-trifluorobutylhydrazine;hydrochloride?
The canonical SMILES for 4,4,4-trifluorobutylhydrazine;hydrochloride is Cl.NNCCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluorobutylhydrazine;hydrochloride?
The InChIKey is RUTGHRIPOYACIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2.ClH/c5-4(6,7)2-1-3-9-8;/h9H,1-3,8H2;1H.
What are the key properties of 4,4,4-trifluorobutylhydrazine;hydrochloride?
4,4,4-trifluorobutylhydrazine;hydrochloride has a molecular weight of 178.58 g/mol, XLogP of 1.21, 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;hydrochloride is sourced from PubChem (CID 154804837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).