tetrakis(1-fluorobutyl)azanium fluoride

C16H32F5N — CID 87670039

IUPACtetrakis(1-fluorobutyl)azanium fluoride
SMILESCCCC(F)[N+](C(F)CCC)(C(F)CCC)C(F)CCC.[F-]
InChIInChI=1S/C16H32F4N.FH/c1-5-9-13(17)21(14(18)10-6-2,15(19)11-7-3)16(20)12-8-4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1
InChIKeyMERSJDJSAJBZMH-UHFFFAOYSA-M
MW333.43 g/mol
LogP3.19
Rot. Bonds12

About tetrakis(1-fluorobutyl)azanium fluoride

tetrakis(1-fluorobutyl)azanium fluoride (PubChem CID 87670039) has the molecular formula C16H32F5N and a molecular weight of 333.43 g/mol. Its IUPAC name is tetrakis(1-fluorobutyl)azanium fluoride.

Molecular Properties

Compound Nametetrakis(1-fluorobutyl)azanium fluoride
PubChem CID87670039
Molecular FormulaC16H32F5N
Molecular Weight333.43 g/mol
Exact Mass333.25
IUPAC Nametetrakis(1-fluorobutyl)azanium fluoride
SMILESCCCC(F)[N+](C(F)CCC)(C(F)CCC)C(F)CCC.[F-]
InChIInChI=1S/C16H32F4N.FH/c1-5-9-13(17)21(14(18)10-6-2,15(19)11-7-3)16(20)12-8-4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1
InChIKeyMERSJDJSAJBZMH-UHFFFAOYSA-M
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.19
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

1,1-difluorobutane;ethane
CID 164925096
3-fluorohexane;fluoromethane
CID 171506304
tetra(octan-4-yl)azanium fluoride
CID 87832016
1-fluorobutan-1-ol;tetramethylazanium
CID 175292318
hexan-3-ol
CID 12178
3-ethyl-5-fluorooctane
CID 175589008
3-fluoro-5-propyloctane
CID 168880938
4,5,6,7-tetraethyldecane
CID 101052128
(2S,3R)-2-fluoro-3-methylhexane
CID 142291573
hexan-3-ol;λ2-plumbane
CID 174675580
4,5-diethyloctane
CID 519254
N-ethyl-1,1-difluoropentan-2-amine
CID 80604281

Frequently Asked Questions

What is the IUPAC name of tetrakis(1-fluorobutyl)azanium fluoride?
The IUPAC name of tetrakis(1-fluorobutyl)azanium fluoride (CID 87670039) is tetrakis(1-fluorobutyl)azanium fluoride.
What is the SMILES notation for tetrakis(1-fluorobutyl)azanium fluoride?
The canonical SMILES for tetrakis(1-fluorobutyl)azanium fluoride is CCCC(F)[N+](C(F)CCC)(C(F)CCC)C(F)CCC.[F-].
What is the InChIKey of tetrakis(1-fluorobutyl)azanium fluoride?
The InChIKey is MERSJDJSAJBZMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H32F4N.FH/c1-5-9-13(17)21(14(18)10-6-2,15(19)11-7-3)16(20)12-8-4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tetrakis(1-fluorobutyl)azanium fluoride?
tetrakis(1-fluorobutyl)azanium fluoride has a molecular weight of 333.43 g/mol, XLogP of 3.19, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-fluorobutyl)azanium fluoride is sourced from PubChem (CID 87670039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).