triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium

C9H16F6N+ — CID 98041551

IUPACtriethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium
SMILESCC[N+](CC)(CC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H16F6N/c1-4-16(5-2,6-3)7(8(10,11)12)9(13,14)15/h7H,4-6H2,1-3H3/q+1
InChIKeyYKEXSMWWMWNRHJ-UHFFFAOYSA-N
MW252.22 g/mol
LogP3.36
Rot. Bonds4

About triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium

triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium (PubChem CID 98041551) has the molecular formula C9H16F6N+ and a molecular weight of 252.22 g/mol. Its IUPAC name is triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium.

Molecular Properties

Compound Nametriethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium
PubChem CID98041551
Molecular FormulaC9H16F6N+
Molecular Weight252.22 g/mol
Exact Mass252.12
IUPAC Nametriethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium
SMILESCC[N+](CC)(CC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H16F6N/c1-4-16(5-2,6-3)7(8(10,11)12)9(13,14)15/h7H,4-6H2,1-3H3/q+1
InChIKeyYKEXSMWWMWNRHJ-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 53.36
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

S-(3,3,3-trifluoro-2-hydroxypropyl) ethanethioate
CID 126847710
(2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane
CID 166781458
methane;bis(1,1,1-trifluoro-2-methylbutane)
CID 161468876
(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane
CID 162565370
N-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748453
2-(trifluoromethyl)butanoic acid;hydrochloride
CID 175076034
ethyl-dimethyl-(2,2,3,3-tetrafluoropropyl)azanium
CID 163324383
2-(trifluoromethyl)butanoyl chloride
CID 87603675
1,1,1-trifluoro-2-(propan-2-yldisulfanyl)butane
CID 155242902
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoroundecane-1-sulfonate;tetraethylazanium
CID 122481988
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododecane-1-sulfonate;tetraethylazanium
CID 134206328
1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine
CID 10561221

Frequently Asked Questions

What is the IUPAC name of triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium?
The IUPAC name of triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium (CID 98041551) is triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium.
What is the SMILES notation for triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium?
The canonical SMILES for triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium is CC[N+](CC)(CC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium?
The InChIKey is YKEXSMWWMWNRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F6N/c1-4-16(5-2,6-3)7(8(10,11)12)9(13,14)15/h7H,4-6H2,1-3H3/q+1.
What are the key properties of triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium?
triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium has a molecular weight of 252.22 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium is sourced from PubChem (CID 98041551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).