(2-butoxy-3-fluoropropyl)-trimethylazanium

C10H23FNO+ — CID 87169985

IUPAC(2-butoxy-3-fluoropropyl)-trimethylazanium
SMILESCCCCOC(CF)C[N+](C)(C)C
InChIInChI=1S/C10H23FNO/c1-5-6-7-13-10(8-11)9-12(2,3)4/h10H,5-9H2,1-4H3/q+1
InChIKeyNGYYLTBSMHSGJF-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.85
Rot. Bonds7

About (2-butoxy-3-fluoropropyl)-trimethylazanium

(2-butoxy-3-fluoropropyl)-trimethylazanium (PubChem CID 87169985) has the molecular formula C10H23FNO+ and a molecular weight of 192.30 g/mol. Its IUPAC name is (2-butoxy-3-fluoropropyl)-trimethylazanium.

Molecular Properties

Compound Name(2-butoxy-3-fluoropropyl)-trimethylazanium
PubChem CID87169985
Molecular FormulaC10H23FNO+
Molecular Weight192.30 g/mol
Exact Mass192.18
IUPAC Name(2-butoxy-3-fluoropropyl)-trimethylazanium
SMILESCCCCOC(CF)C[N+](C)(C)C
InChIInChI=1S/C10H23FNO/c1-5-6-7-13-10(8-11)9-12(2,3)4/h10H,5-9H2,1-4H3/q+1
InChIKeyNGYYLTBSMHSGJF-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-dodecoxytetradecyl(trimethyl)azanium
CID 175487629
(3-carboxy-2-tridecoxypropyl)-trimethylazanium
CID 22407177
trimethyl-[2-[(E)-octadec-9-enoxy]-3-[(Z)-octadec-9-enoxy]propyl]azanium
CID 10122548
[(2S,3R)-2,3-didodecoxy-4-(trimethylazaniumyl)butyl]-trimethylazanium
CID 100928868
(4-carboxy-2-tetradecoxybutyl)-trimethylazanium
CID 11349254
2,3-bis[(Z)-octadec-9-enoxy]propyl-trimethylazanium chloride
CID 6438350
[(2R)-2,3-bis[(Z)-octadec-9-enoxy]propyl]-trimethylazanium chloride
CID 118978115
[(2S)-2,3-bis[(Z)-octadec-9-enoxy]propyl]-trimethylazanium chloride
CID 15056905
(3-methoxy-2-propoxypropyl)-trimethylazanium chloride
CID 162304879
[3-ethoxy-2-[(E)-heptadec-9-enoxy]propyl]-trimethylazanium chloride
CID 10410645
(2-butoxy-2-sulfoethyl)-trimethylazanium
CID 174506759
3-[(Z)-octadec-9-enoxy]-4-(trimethylazaniumyl)butanoate
CID 51001818

Frequently Asked Questions

What is the IUPAC name of (2-butoxy-3-fluoropropyl)-trimethylazanium?
The IUPAC name of (2-butoxy-3-fluoropropyl)-trimethylazanium (CID 87169985) is (2-butoxy-3-fluoropropyl)-trimethylazanium.
What is the SMILES notation for (2-butoxy-3-fluoropropyl)-trimethylazanium?
The canonical SMILES for (2-butoxy-3-fluoropropyl)-trimethylazanium is CCCCOC(CF)C[N+](C)(C)C.
What is the InChIKey of (2-butoxy-3-fluoropropyl)-trimethylazanium?
The InChIKey is NGYYLTBSMHSGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23FNO/c1-5-6-7-13-10(8-11)9-12(2,3)4/h10H,5-9H2,1-4H3/q+1.
What are the key properties of (2-butoxy-3-fluoropropyl)-trimethylazanium?
(2-butoxy-3-fluoropropyl)-trimethylazanium has a molecular weight of 192.30 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxy-3-fluoropropyl)-trimethylazanium is sourced from PubChem (CID 87169985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).