tributyl(difluoromethyl)azanium chloride

C13H28ClF2N — CID 24750688

IUPACtributyl(difluoromethyl)azanium chloride
SMILESCCCC[N+](CCCC)(CCCC)C(F)F.[Cl-]
InChIInChI=1S/C13H28F2N.ClH/c1-4-7-10-16(13(14)15,11-8-5-2)12-9-6-3;/h13H,4-12H2,1-3H3;1H/q+1;/p-1
InChIKeyJZGNTTPAUKORDN-UHFFFAOYSA-M
MW271.82 g/mol
LogP1.43
Rot. Bonds10

About tributyl(difluoromethyl)azanium chloride

tributyl(difluoromethyl)azanium chloride (PubChem CID 24750688) has the molecular formula C13H28ClF2N and a molecular weight of 271.82 g/mol. Its IUPAC name is tributyl(difluoromethyl)azanium chloride.

Molecular Properties

Compound Nametributyl(difluoromethyl)azanium chloride
PubChem CID24750688
Molecular FormulaC13H28ClF2N
Molecular Weight271.82 g/mol
Exact Mass271.19
IUPAC Nametributyl(difluoromethyl)azanium chloride
SMILESCCCC[N+](CCCC)(CCCC)C(F)F.[Cl-]
InChIInChI=1S/C13H28F2N.ClH/c1-4-7-10-16(13(14)15,11-8-5-2)12-9-6-3;/h13H,4-12H2,1-3H3;1H/q+1;/p-1
InChIKeyJZGNTTPAUKORDN-UHFFFAOYSA-M
XLogP1.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.82
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl(difluoromethyl)azanium chloride?
The IUPAC name of tributyl(difluoromethyl)azanium chloride (CID 24750688) is tributyl(difluoromethyl)azanium chloride.
What is the SMILES notation for tributyl(difluoromethyl)azanium chloride?
The canonical SMILES for tributyl(difluoromethyl)azanium chloride is CCCC[N+](CCCC)(CCCC)C(F)F.[Cl-].
What is the InChIKey of tributyl(difluoromethyl)azanium chloride?
The InChIKey is JZGNTTPAUKORDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H28F2N.ClH/c1-4-7-10-16(13(14)15,11-8-5-2)12-9-6-3;/h13H,4-12H2,1-3H3;1H/q+1;/p-1.
What are the key properties of tributyl(difluoromethyl)azanium chloride?
tributyl(difluoromethyl)azanium chloride has a molecular weight of 271.82 g/mol, XLogP of 1.43, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(difluoromethyl)azanium chloride is sourced from PubChem (CID 24750688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).