1-hydroxyethylazanium tetrafluoroborate

C2H8BF4NO — CID 87299825

IUPAC1-hydroxyethylazanium tetrafluoroborate
SMILESCC([NH3+])O.F[B-](F)(F)F
InChIInChI=1S/C2H7NO.BF4/c1-2(3)4;2-1(3,4)5/h2,4H,3H2,1H3;/q;-1/p+1
InChIKeyXPPKLGUXMZRVOZ-UHFFFAOYSA-O
MW148.90 g/mol
LogP-0.13
Rot. Bonds

About 1-hydroxyethylazanium tetrafluoroborate

1-hydroxyethylazanium tetrafluoroborate (PubChem CID 87299825) has the molecular formula C2H8BF4NO and a molecular weight of 148.90 g/mol. Its IUPAC name is 1-hydroxyethylazanium tetrafluoroborate.

Molecular Properties

Compound Name1-hydroxyethylazanium tetrafluoroborate
PubChem CID87299825
Molecular FormulaC2H8BF4NO
Molecular Weight148.90 g/mol
Exact Mass149.06
IUPAC Name1-hydroxyethylazanium tetrafluoroborate
SMILESCC([NH3+])O.F[B-](F)(F)F
InChIInChI=1S/C2H7NO.BF4/c1-2(3)4;2-1(3,4)5/h2,4H,3H2,1H3;/q;-1/p+1
InChIKeyXPPKLGUXMZRVOZ-UHFFFAOYSA-O
XLogP-0.13
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.90
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylbutane tetrafluoroborate
CID 174871894
3-hydroxybutan-2-ylazanium
CID 74652589
propan-2-ylazanium
CID 3364502
1-fluoroethanol;rutherfordium
CID 58987118
propan-2-ol;titanium
CID 25200171
CID 131857540
CID 131857540
erbium;propan-2-ol
CID 160843836
ethane-1,1-diol;hydrate
CID 86643495
chromium;tetrakis(ethane-1,1-diol)
CID 59348393
CID 85354423
CID 85354423
Indium(III) isopropoxide
CID 159258374
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethylazanium tetrafluoroborate?
The IUPAC name of 1-hydroxyethylazanium tetrafluoroborate (CID 87299825) is 1-hydroxyethylazanium tetrafluoroborate.
What is the SMILES notation for 1-hydroxyethylazanium tetrafluoroborate?
The canonical SMILES for 1-hydroxyethylazanium tetrafluoroborate is CC([NH3+])O.F[B-](F)(F)F.
What is the InChIKey of 1-hydroxyethylazanium tetrafluoroborate?
The InChIKey is XPPKLGUXMZRVOZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H7NO.BF4/c1-2(3)4;2-1(3,4)5/h2,4H,3H2,1H3;/q;-1/p+1.
What are the key properties of 1-hydroxyethylazanium tetrafluoroborate?
1-hydroxyethylazanium tetrafluoroborate has a molecular weight of 148.90 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethylazanium tetrafluoroborate is sourced from PubChem (CID 87299825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).