butyl(trifluoromethyl)azanium

C5H11F3N+ — CID 162251072

IUPACbutyl(trifluoromethyl)azanium
SMILESCCCC[NH2+]C(F)(F)F
InChIInChI=1S/C5H10F3N/c1-2-3-4-9-5(6,7)8/h9H,2-4H2,1H3/p+1
InChIKeyZXZPGPHWJMNBGW-UHFFFAOYSA-O
MW142.14 g/mol
LogP0.87
Rot. Bonds3

About butyl(trifluoromethyl)azanium

butyl(trifluoromethyl)azanium (PubChem CID 162251072) has the molecular formula C5H11F3N+ and a molecular weight of 142.14 g/mol. Its IUPAC name is butyl(trifluoromethyl)azanium.

Molecular Properties

Compound Namebutyl(trifluoromethyl)azanium
PubChem CID162251072
Molecular FormulaC5H11F3N+
Molecular Weight142.14 g/mol
Exact Mass142.08
IUPAC Namebutyl(trifluoromethyl)azanium
SMILESCCCC[NH2+]C(F)(F)F
InChIInChI=1S/C5H10F3N/c1-2-3-4-9-5(6,7)8/h9H,2-4H2,1H3/p+1
InChIKeyZXZPGPHWJMNBGW-UHFFFAOYSA-O
XLogP0.87
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dibutylazanium hexafluorophosphate
CID 23620950
dibutyl(trifluoromethyl)borane
CID 19046335
butane;trichloro(fluoro)methane
CID 159264115
5,5-difluorononane
CID 21410163
CID 139206332
CID 139206332
butyl(dodecyl)azanium
CID 91941247
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
iron(3+);1,1,1-trifluoropentane
CID 161198772
1-fluoropentane;tetrafluoromethane
CID 175069152
6-butyl-6-fluoroundecane
CID 11424735
1,1,1-trifluorohexadecane
CID 15685316
butyl(tetradecyl)azanium chloride
CID 20788665

Frequently Asked Questions

What is the IUPAC name of butyl(trifluoromethyl)azanium?
The IUPAC name of butyl(trifluoromethyl)azanium (CID 162251072) is butyl(trifluoromethyl)azanium.
What is the SMILES notation for butyl(trifluoromethyl)azanium?
The canonical SMILES for butyl(trifluoromethyl)azanium is CCCC[NH2+]C(F)(F)F.
What is the InChIKey of butyl(trifluoromethyl)azanium?
The InChIKey is ZXZPGPHWJMNBGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10F3N/c1-2-3-4-9-5(6,7)8/h9H,2-4H2,1H3/p+1.
What are the key properties of butyl(trifluoromethyl)azanium?
butyl(trifluoromethyl)azanium has a molecular weight of 142.14 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(trifluoromethyl)azanium is sourced from PubChem (CID 162251072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).