(2-fluoro-2-pentoxypropyl)-trimethylazanium

C11H25FNO+ — CID 87169847

IUPAC(2-fluoro-2-pentoxypropyl)-trimethylazanium
SMILESCCCCCOC(C)(F)C[N+](C)(C)C
InChIInChI=1S/C11H25FNO/c1-6-7-8-9-14-11(2,12)10-13(3,4)5/h6-10H2,1-5H3/q+1
InChIKeyHWSIEWCAQSCNFO-UHFFFAOYSA-N
MW206.32 g/mol
LogP2.59
Rot. Bonds7

About (2-fluoro-2-pentoxypropyl)-trimethylazanium

(2-fluoro-2-pentoxypropyl)-trimethylazanium (PubChem CID 87169847) has the molecular formula C11H25FNO+ and a molecular weight of 206.32 g/mol. Its IUPAC name is (2-fluoro-2-pentoxypropyl)-trimethylazanium.

Molecular Properties

Compound Name(2-fluoro-2-pentoxypropyl)-trimethylazanium
PubChem CID87169847
Molecular FormulaC11H25FNO+
Molecular Weight206.32 g/mol
Exact Mass206.19
IUPAC Name(2-fluoro-2-pentoxypropyl)-trimethylazanium
SMILESCCCCCOC(C)(F)C[N+](C)(C)C
InChIInChI=1S/C11H25FNO/c1-6-7-8-9-14-11(2,12)10-13(3,4)5/h6-10H2,1-5H3/q+1
InChIKeyHWSIEWCAQSCNFO-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.32
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-2-pentoxypropyl)-trimethylazanium?
The IUPAC name of (2-fluoro-2-pentoxypropyl)-trimethylazanium (CID 87169847) is (2-fluoro-2-pentoxypropyl)-trimethylazanium.
What is the SMILES notation for (2-fluoro-2-pentoxypropyl)-trimethylazanium?
The canonical SMILES for (2-fluoro-2-pentoxypropyl)-trimethylazanium is CCCCCOC(C)(F)C[N+](C)(C)C.
What is the InChIKey of (2-fluoro-2-pentoxypropyl)-trimethylazanium?
The InChIKey is HWSIEWCAQSCNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25FNO/c1-6-7-8-9-14-11(2,12)10-13(3,4)5/h6-10H2,1-5H3/q+1.
What are the key properties of (2-fluoro-2-pentoxypropyl)-trimethylazanium?
(2-fluoro-2-pentoxypropyl)-trimethylazanium has a molecular weight of 206.32 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-2-pentoxypropyl)-trimethylazanium is sourced from PubChem (CID 87169847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).