butyl-(2-fluoroethyl)-dimethylazanium chloride

C8H19ClFN — CID 160627620

IUPACbutyl-(2-fluoroethyl)-dimethylazanium chloride
SMILESCCCC[N+](C)(C)CCF.[Cl-]
InChIInChI=1S/C8H19FN.ClH/c1-4-5-7-10(2,3)8-6-9;/h4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyYUNJTVOFTDNMAC-UHFFFAOYSA-M
MW183.70 g/mol
LogP-1.16
Rot. Bonds5

About butyl-(2-fluoroethyl)-dimethylazanium chloride

butyl-(2-fluoroethyl)-dimethylazanium chloride (PubChem CID 160627620) has the molecular formula C8H19ClFN and a molecular weight of 183.70 g/mol. Its IUPAC name is butyl-(2-fluoroethyl)-dimethylazanium chloride.

Molecular Properties

Compound Namebutyl-(2-fluoroethyl)-dimethylazanium chloride
PubChem CID160627620
Molecular FormulaC8H19ClFN
Molecular Weight183.70 g/mol
Exact Mass183.12
IUPAC Namebutyl-(2-fluoroethyl)-dimethylazanium chloride
SMILESCCCC[N+](C)(C)CCF.[Cl-]
InChIInChI=1S/C8H19FN.ClH/c1-4-5-7-10(2,3)8-6-9;/h4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyYUNJTVOFTDNMAC-UHFFFAOYSA-M
XLogP-1.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.70
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl-dimethyl-propylazanium;ethane
CID 156736047
hexyl-icosyl-dimethylazanium chloride
CID 141083999
decyl-hexyl-dimethylazanium chloride
CID 19369138
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
butyl-dimethyl-pentadecylazanium
CID 58827785
decyl-dimethyl-nonylazanium chloride
CID 23185420
azane;butyl-decyl-dimethylazanium;chloride;hydrochloride
CID 173206612
butyl-dodecyl-dimethylazanium iodide
CID 10524862
decyl-heptadecyl-dimethylazanium
CID 22158969
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787

Frequently Asked Questions

What is the IUPAC name of butyl-(2-fluoroethyl)-dimethylazanium chloride?
The IUPAC name of butyl-(2-fluoroethyl)-dimethylazanium chloride (CID 160627620) is butyl-(2-fluoroethyl)-dimethylazanium chloride.
What is the SMILES notation for butyl-(2-fluoroethyl)-dimethylazanium chloride?
The canonical SMILES for butyl-(2-fluoroethyl)-dimethylazanium chloride is CCCC[N+](C)(C)CCF.[Cl-].
What is the InChIKey of butyl-(2-fluoroethyl)-dimethylazanium chloride?
The InChIKey is YUNJTVOFTDNMAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19FN.ClH/c1-4-5-7-10(2,3)8-6-9;/h4-8H2,1-3H3;1H/q+1;/p-1.
What are the key properties of butyl-(2-fluoroethyl)-dimethylazanium chloride?
butyl-(2-fluoroethyl)-dimethylazanium chloride has a molecular weight of 183.70 g/mol, XLogP of -1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-fluoroethyl)-dimethylazanium chloride is sourced from PubChem (CID 160627620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).