1-fluorobutan-1-ol;tetramethylazanium

C8H21FNO+ — CID 175292318

IUPAC1-fluorobutan-1-ol;tetramethylazanium
SMILESCCCC(O)F.C[N+](C)(C)C
InChIInChI=1S/C4H9FO.C4H12N/c1-2-3-4(5)6;1-5(2,3)4/h4,6H,2-3H2,1H3;1-4H3/q;+1
InChIKeyAPWCGQWTTJKUDP-UHFFFAOYSA-N
MW166.26 g/mol
LogP1.40
Rot. Bonds2

About 1-fluorobutan-1-ol;tetramethylazanium

1-fluorobutan-1-ol;tetramethylazanium (PubChem CID 175292318) has the molecular formula C8H21FNO+ and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-fluorobutan-1-ol;tetramethylazanium.

Molecular Properties

Compound Name1-fluorobutan-1-ol;tetramethylazanium
PubChem CID175292318
Molecular FormulaC8H21FNO+
Molecular Weight166.26 g/mol
Exact Mass166.16
IUPAC Name1-fluorobutan-1-ol;tetramethylazanium
SMILESCCCC(O)F.C[N+](C)(C)C
InChIInChI=1S/C4H9FO.C4H12N/c1-2-3-4(5)6;1-5(2,3)4/h4,6H,2-3H2,1H3;1-4H3/q;+1
InChIKeyAPWCGQWTTJKUDP-UHFFFAOYSA-N
XLogP1.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobutan-1-ol;tetramethylazanium?
The IUPAC name of 1-fluorobutan-1-ol;tetramethylazanium (CID 175292318) is 1-fluorobutan-1-ol;tetramethylazanium.
What is the SMILES notation for 1-fluorobutan-1-ol;tetramethylazanium?
The canonical SMILES for 1-fluorobutan-1-ol;tetramethylazanium is CCCC(O)F.C[N+](C)(C)C.
What is the InChIKey of 1-fluorobutan-1-ol;tetramethylazanium?
The InChIKey is APWCGQWTTJKUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO.C4H12N/c1-2-3-4(5)6;1-5(2,3)4/h4,6H,2-3H2,1H3;1-4H3/q;+1.
What are the key properties of 1-fluorobutan-1-ol;tetramethylazanium?
1-fluorobutan-1-ol;tetramethylazanium has a molecular weight of 166.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutan-1-ol;tetramethylazanium is sourced from PubChem (CID 175292318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).