[3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium

C10H23FNO+ — CID 87169983

IUPAC[3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium
SMILESCCCC(CF)C(O)C[N+](C)(C)C
InChIInChI=1S/C10H23FNO/c1-5-6-9(7-11)10(13)8-12(2,3)4/h9-10,13H,5-8H2,1-4H3/q+1
InChIKeyQOJWUMPLUYLEIY-UHFFFAOYSA-N
MW192.30 g/mol
LogP1.44
Rot. Bonds6

About [3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium

[3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium (PubChem CID 87169983) has the molecular formula C10H23FNO+ and a molecular weight of 192.30 g/mol. Its IUPAC name is [3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium.

Molecular Properties

Compound Name[3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium
PubChem CID87169983
Molecular FormulaC10H23FNO+
Molecular Weight192.30 g/mol
Exact Mass192.18
IUPAC Name[3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium
SMILESCCCC(CF)C(O)C[N+](C)(C)C
InChIInChI=1S/C10H23FNO/c1-5-6-9(7-11)10(13)8-12(2,3)4/h9-10,13H,5-8H2,1-4H3/q+1
InChIKeyQOJWUMPLUYLEIY-UHFFFAOYSA-N
XLogP1.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 51.44
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 [3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium?
The IUPAC name of [3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium (CID 87169983) is [3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium.
What is the SMILES notation for [3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium?
The canonical SMILES for [3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium is CCCC(CF)C(O)C[N+](C)(C)C.
What is the InChIKey of [3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium?
The InChIKey is QOJWUMPLUYLEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23FNO/c1-5-6-9(7-11)10(13)8-12(2,3)4/h9-10,13H,5-8H2,1-4H3/q+1.
What are the key properties of [3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium?
[3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium has a molecular weight of 192.30 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)-2-hydroxyhexyl]-trimethylazanium is sourced from PubChem (CID 87169983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).