tributyl(difluoromethyl)azanium

C13H28F2N+ — CID 24750689

IUPACtributyl(difluoromethyl)azanium
SMILESCCCC[N+](CCCC)(CCCC)C(F)F
InChIInChI=1S/C13H28F2N/c1-4-7-10-16(13(14)15,11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3/q+1
InChIKeyBLQYIABPNPXGIO-UHFFFAOYSA-N
MW236.37 g/mol
LogP4.43
Rot. Bonds10

About tributyl(difluoromethyl)azanium

tributyl(difluoromethyl)azanium (PubChem CID 24750689) has the molecular formula C13H28F2N+ and a molecular weight of 236.37 g/mol. Its IUPAC name is tributyl(difluoromethyl)azanium.

Molecular Properties

Compound Nametributyl(difluoromethyl)azanium
PubChem CID24750689
Molecular FormulaC13H28F2N+
Molecular Weight236.37 g/mol
Exact Mass236.22
IUPAC Nametributyl(difluoromethyl)azanium
SMILESCCCC[N+](CCCC)(CCCC)C(F)F
InChIInChI=1S/C13H28F2N/c1-4-7-10-16(13(14)15,11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3/q+1
InChIKeyBLQYIABPNPXGIO-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 54.43
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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Related Compounds

N,N-Diethyl-1,1,2,3,3,3-hexafluoropropylamine
CID 136149
1-Butanamine, N,N-dibutyl-, hydrofluoride (1:1)
CID 3017185
Tetrabutylammonium Bifluoride
CID 10891295
Tetrabutylammonium Tetrakis(trifluoromethyl)cuprate(III)
CID 124220112
3,3,4,4,5,5,6,6,6-Nonafluorohexyl(tripropyl)azanium
CID 71377731
N,N-dibutyl(3,3,3-trifluoro-1-propynyl)amine
CID 10987818
N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine
CID 11276983
N,N-diisopropyl(2,2,3,3,3-pentafluoropropyl)amine
CID 11806562
N-Isobutyl-2-methyl-N-(trifluoromethyl)-1-propanamine
CID 15105667
N,N-diethyl-1,1-difluoro-2,2-dimethylpropan-1-amine
CID 9989828
N,N,N-Tributylbutan-1-aminium fluoride--hydrogen fluoride (1/1/2)
CID 11748636
Dibutyl(2,2,2-trifluoroethyl)amine
CID 13510101

Frequently Asked Questions

What is the IUPAC name of tributyl(difluoromethyl)azanium?
The IUPAC name of tributyl(difluoromethyl)azanium (CID 24750689) is tributyl(difluoromethyl)azanium.
What is the SMILES notation for tributyl(difluoromethyl)azanium?
The canonical SMILES for tributyl(difluoromethyl)azanium is CCCC[N+](CCCC)(CCCC)C(F)F.
What is the InChIKey of tributyl(difluoromethyl)azanium?
The InChIKey is BLQYIABPNPXGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28F2N/c1-4-7-10-16(13(14)15,11-8-5-2)12-9-6-3/h13H,4-12H2,1-3H3/q+1.
What are the key properties of tributyl(difluoromethyl)azanium?
tributyl(difluoromethyl)azanium has a molecular weight of 236.37 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(difluoromethyl)azanium is sourced from PubChem (CID 24750689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).