ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium

C7H14F4N+ — CID 163324383

IUPACethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium
SMILESCC[N+](C)(C)CC(F)(F)C(F)F
InChIInChI=1S/C7H14F4N/c1-4-12(2,3)5-7(10,11)6(8)9/h6H,4-5H2,1-3H3/q+1
InChIKeyJPIFTWNXYGHWSP-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.98
Rot. Bonds4

About ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium

ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium (PubChem CID 163324383) has the molecular formula C7H14F4N+ and a molecular weight of 188.19 g/mol. Its IUPAC name is ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium
PubChem CID163324383
Molecular FormulaC7H14F4N+
Molecular Weight188.19 g/mol
Exact Mass188.11
IUPAC Nameethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium
SMILESCC[N+](C)(C)CC(F)(F)C(F)F
InChIInChI=1S/C7H14F4N/c1-4-12(2,3)5-7(10,11)6(8)9/h6H,4-5H2,1-3H3/q+1
InChIKeyJPIFTWNXYGHWSP-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5,5,6,6-tetrafluorohexan-3-ol
CID 131228831
ethyl-[2-(ethylamino)-2-methylpropyl]-dimethylazanium
CID 123984846
5-bromo-1,1,2,2-tetrafluoro-4-methylpentane
CID 131228851
3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine
CID 172565161
fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium)
CID 178182662
diethyl(dimethyl)azanium;bromide;hydrate
CID 174914404
2,2,3,3-tetrafluoropropane-1-thiol
CID 57236549
4,4,5,5-tetrafluoropentan-2-ol
CID 131061196
N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529596
2,2,3,3-tetrafluoropropan-1-ol;hydrate
CID 141297576
1,1,1,2,2-pentafluoroethane;1,1,2,2,3-pentafluoropropane
CID 157410254
diethyl-(2-methoxyethyl)-methylazanium;1,1,1,2,2-pentafluoroethane;tetrafluoroborate
CID 157061128

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium?
The IUPAC name of ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium (CID 163324383) is ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium.
What is the SMILES notation for ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium?
The canonical SMILES for ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium is CC[N+](C)(C)CC(F)(F)C(F)F.
What is the InChIKey of ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium?
The InChIKey is JPIFTWNXYGHWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F4N/c1-4-12(2,3)5-7(10,11)6(8)9/h6H,4-5H2,1-3H3/q+1.
What are the key properties of ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium?
ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium has a molecular weight of 188.19 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium is sourced from PubChem (CID 163324383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).