difluoro-bis(2-hydroxyethoxy)azanium

C4H10F2NO4+ — CID 87095875

IUPACdifluoro-bis(2-hydroxyethoxy)azanium
SMILESOCCO[N+](F)(F)OCCO
InChIInChI=1S/C4H10F2NO4/c5-7(6,10-3-1-8)11-4-2-9/h8-9H,1-4H2/q+1
InChIKeyNUTVOUZAIWIGJZ-UHFFFAOYSA-N
MW174.12 g/mol
LogP-0.58
Rot. Bonds6

About difluoro-bis(2-hydroxyethoxy)azanium

difluoro-bis(2-hydroxyethoxy)azanium (PubChem CID 87095875) has the molecular formula C4H10F2NO4+ and a molecular weight of 174.12 g/mol. Its IUPAC name is difluoro-bis(2-hydroxyethoxy)azanium.

Molecular Properties

Compound Namedifluoro-bis(2-hydroxyethoxy)azanium
PubChem CID87095875
Molecular FormulaC4H10F2NO4+
Molecular Weight174.12 g/mol
Exact Mass174.06
IUPAC Namedifluoro-bis(2-hydroxyethoxy)azanium
SMILESOCCO[N+](F)(F)OCCO
InChIInChI=1S/C4H10F2NO4/c5-7(6,10-3-1-8)11-4-2-9/h8-9H,1-4H2/q+1
InChIKeyNUTVOUZAIWIGJZ-UHFFFAOYSA-N
XLogP-0.58
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate
CID 174506385
2-hydroxyethoxy(trimethyl)azanium bromide
CID 174869797
tris(2-hydroxyethoxy)-propylazanium
CID 88748271
2-hydroxyethyl hypofluorite
CID 22960076
bis(2-hydroxyethoxy)-dipropylazanium
CID 88798056
2-methoxyethanol;sulfane
CID 174965249
tris(2-hydroxyethoxy)-phenylazanium
CID 88694066
2-(2-fluoroethoxy)ethanol
CID 9763
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
CID 159345993
CID 159345993

Frequently Asked Questions

What is the IUPAC name of difluoro-bis(2-hydroxyethoxy)azanium?
The IUPAC name of difluoro-bis(2-hydroxyethoxy)azanium (CID 87095875) is difluoro-bis(2-hydroxyethoxy)azanium.
What is the SMILES notation for difluoro-bis(2-hydroxyethoxy)azanium?
The canonical SMILES for difluoro-bis(2-hydroxyethoxy)azanium is OCCO[N+](F)(F)OCCO.
What is the InChIKey of difluoro-bis(2-hydroxyethoxy)azanium?
The InChIKey is NUTVOUZAIWIGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F2NO4/c5-7(6,10-3-1-8)11-4-2-9/h8-9H,1-4H2/q+1.
What are the key properties of difluoro-bis(2-hydroxyethoxy)azanium?
difluoro-bis(2-hydroxyethoxy)azanium has a molecular weight of 174.12 g/mol, XLogP of -0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-bis(2-hydroxyethoxy)azanium is sourced from PubChem (CID 87095875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).