[1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium

C6H15FNO+ — CID 123795704

IUPAC[1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium
SMILES[2H]C([2H])(COCF)[N+](C)(C)C
InChIInChI=1S/C6H15FNO/c1-8(2,3)4-5-9-6-7/h4-6H2,1-3H3/q+1/i4D2
InChIKeyTYUACEBEGBGGMO-APZFVMQVSA-N
MW138.20 g/mol
LogP0.64
Rot. Bonds4

About [1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium

[1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium (PubChem CID 123795704) has the molecular formula C6H15FNO+ and a molecular weight of 138.20 g/mol. Its IUPAC name is [1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium.

Molecular Properties

Compound Name[1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium
PubChem CID123795704
Molecular FormulaC6H15FNO+
Molecular Weight138.20 g/mol
Exact Mass138.13
IUPAC Name[1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium
SMILES[2H]C([2H])(COCF)[N+](C)(C)C
InChIInChI=1S/C6H15FNO/c1-8(2,3)4-5-9-6-7/h4-6H2,1-3H3/q+1/i4D2
InChIKeyTYUACEBEGBGGMO-APZFVMQVSA-N
XLogP0.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.20
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(fluoromethoxy)ethoxy]-2-[2-[2-(fluoromethoxy)ethoxy]ethoxy]ethane
CID 11021545
1-[2-(fluoromethoxy)ethoxy]-2-methoxyethane
CID 11182702
2-(fluoromethoxy)ethyl-trimethylsilane
CID 175695577
2-(fluoromethoxy)ethyl hypofluorite
CID 90980726
1-(fluoromethoxy)dodecane
CID 154178379
1-fluoro-5-(fluoromethoxy)-3-methylpentane
CID 59086817
O-[2-[2-((18F)fluoromethoxy)ethoxy]ethyl]hydroxylamine
CID 59184414
(1,1-dideuterio-1-fluoro-3-propoxypropan-2-yl)-trimethylazanium
CID 87169930
3-(fluoromethoxy)propyl-trimethoxysilane
CID 58238485
N,1-difluoro-N-(fluoromethyl)methanamine;difluoromethane;fluoro(fluoromethoxy)methane;fluoromethane;1,1,1,2-tetrafluoroethane
CID 91590576
2-ethoxyethyl(trimethyl)azanium;fluoromethane
CID 174704150
3-(fluoromethoxy)propyl-dimethyl-trimethylsilyloxysilane
CID 58238476

Frequently Asked Questions

What is the IUPAC name of [1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium?
The IUPAC name of [1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium (CID 123795704) is [1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium.
What is the SMILES notation for [1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium?
The canonical SMILES for [1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium is [2H]C([2H])(COCF)[N+](C)(C)C.
What is the InChIKey of [1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium?
The InChIKey is TYUACEBEGBGGMO-APZFVMQVSA-N. The full InChI is InChI=1S/C6H15FNO/c1-8(2,3)4-5-9-6-7/h4-6H2,1-3H3/q+1/i4D2.
What are the key properties of [1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium?
[1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium has a molecular weight of 138.20 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dideuterio-2-(fluoromethoxy)ethyl]-trimethylazanium is sourced from PubChem (CID 123795704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).