(2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium

C10H23FNO+ — CID 87169822

IUPAC(2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium
SMILESCCC(C)OC(C)(F)C[N+](C)(C)C
InChIInChI=1S/C10H23FNO/c1-7-9(2)13-10(3,11)8-12(4,5)6/h9H,7-8H2,1-6H3/q+1
InChIKeyJOGMWULLORMQFD-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.19
Rot. Bonds5

About (2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium

(2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium (PubChem CID 87169822) has the molecular formula C10H23FNO+ and a molecular weight of 192.30 g/mol. Its IUPAC name is (2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium.

Molecular Properties

Compound Name(2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium
PubChem CID87169822
Molecular FormulaC10H23FNO+
Molecular Weight192.30 g/mol
Exact Mass192.18
IUPAC Name(2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium
SMILESCCC(C)OC(C)(F)C[N+](C)(C)C
InChIInChI=1S/C10H23FNO/c1-7-9(2)13-10(3,11)8-12(4,5)6/h9H,7-8H2,1-6H3/q+1
InChIKeyJOGMWULLORMQFD-UHFFFAOYSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium?
The IUPAC name of (2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium (CID 87169822) is (2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium.
What is the SMILES notation for (2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium?
The canonical SMILES for (2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium is CCC(C)OC(C)(F)C[N+](C)(C)C.
What is the InChIKey of (2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium?
The InChIKey is JOGMWULLORMQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23FNO/c1-7-9(2)13-10(3,11)8-12(4,5)6/h9H,7-8H2,1-6H3/q+1.
What are the key properties of (2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium?
(2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium has a molecular weight of 192.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yloxy-2-fluoropropyl)-trimethylazanium is sourced from PubChem (CID 87169822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).