diethyl-(3-fluoroprop-2-enyl)-methylazanium

C8H17FN+ — CID 59100565

IUPACdiethyl-(3-fluoroprop-2-enyl)-methylazanium
SMILESCC[N+](C)(CC)CC=CF
InChIInChI=1S/C8H17FN/c1-4-10(3,5-2)8-6-7-9/h6-7H,4-5,8H2,1-3H3/q+1
InChIKeyDVMNZWHLZKFAQB-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.96
Rot. Bonds4

About diethyl-(3-fluoroprop-2-enyl)-methylazanium

diethyl-(3-fluoroprop-2-enyl)-methylazanium (PubChem CID 59100565) has the molecular formula C8H17FN+ and a molecular weight of 146.23 g/mol. Its IUPAC name is diethyl-(3-fluoroprop-2-enyl)-methylazanium.

Molecular Properties

Compound Namediethyl-(3-fluoroprop-2-enyl)-methylazanium
PubChem CID59100565
Molecular FormulaC8H17FN+
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Namediethyl-(3-fluoroprop-2-enyl)-methylazanium
SMILESCC[N+](C)(CC)CC=CF
InChIInChI=1S/C8H17FN/c1-4-10(3,5-2)8-6-7-9/h6-7H,4-5,8H2,1-3H3/q+1
InChIKeyDVMNZWHLZKFAQB-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.96
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

1-fluoropent-1-ene
CID 54278285
[(Z)-3-chlorobut-2-enyl]-diethyl-methylazanium bromide
CID 134879813
cyclopropyl-[(E)-3-fluoroprop-2-enyl]-dimethylazanium
CID 138514120
hydron;triethyl(methyl)azanium;tetrafluoroborate
CID 87302670
triethyl(methyl)azanium;trifluoro borate;iodide
CID 175209505
bromo(trifluoro)boranuide;triethyl(methyl)azanium
CID 140836561
triethyl(methyl)azanium iodate
CID 158535675
(Z)-but-2-enedioic acid;triethyl(methyl)azanium
CID 87389837
ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium
CID 123622999
perchloric acid;triethyl(methyl)azanium
CID 87764447
diethyl-methyl-(methylsulfanylmethyl)azanium
CID 123930131
(E)-1-fluoroheptadec-1-ene
CID 13058128

Frequently Asked Questions

What is the IUPAC name of diethyl-(3-fluoroprop-2-enyl)-methylazanium?
The IUPAC name of diethyl-(3-fluoroprop-2-enyl)-methylazanium (CID 59100565) is diethyl-(3-fluoroprop-2-enyl)-methylazanium.
What is the SMILES notation for diethyl-(3-fluoroprop-2-enyl)-methylazanium?
The canonical SMILES for diethyl-(3-fluoroprop-2-enyl)-methylazanium is CC[N+](C)(CC)CC=CF.
What is the InChIKey of diethyl-(3-fluoroprop-2-enyl)-methylazanium?
The InChIKey is DVMNZWHLZKFAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN/c1-4-10(3,5-2)8-6-7-9/h6-7H,4-5,8H2,1-3H3/q+1.
What are the key properties of diethyl-(3-fluoroprop-2-enyl)-methylazanium?
diethyl-(3-fluoroprop-2-enyl)-methylazanium has a molecular weight of 146.23 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(3-fluoroprop-2-enyl)-methylazanium is sourced from PubChem (CID 59100565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).