hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium)

C10H28F6N2O2Ti — CID 87573240

IUPAChexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium)
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.F[Ti-2](F)(F)(F)(F)F
InChIInChI=1S/2C5H14NO.6FH.Ti/c2*1-6(2,3)4-5-7;;;;;;;/h2*7H,4-5H2,1-3H3;6*1H;/q2*+1;;;;;;;+4/p-6
InChIKeySEUCSFSEVVTBHK-UHFFFAOYSA-H
MW370.20 g/mol
LogP1.89
Rot. Bonds4

About hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium)

hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium) (PubChem CID 87573240) has the molecular formula C10H28F6N2O2Ti and a molecular weight of 370.20 g/mol. Its IUPAC name is hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium).

Molecular Properties

Compound Namehexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium)
PubChem CID87573240
Molecular FormulaC10H28F6N2O2Ti
Molecular Weight370.20 g/mol
Exact Mass370.15
IUPAC Namehexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium)
SMILESC[N+](C)(C)CCO.C[N+](C)(C)CCO.F[Ti-2](F)(F)(F)(F)F
InChIInChI=1S/2C5H14NO.6FH.Ti/c2*1-6(2,3)4-5-7;;;;;;;/h2*7H,4-5H2,1-3H3;6*1H;/q2*+1;;;;;;;+4/p-6
InChIKeySEUCSFSEVVTBHK-UHFFFAOYSA-H
XLogP1.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
CID 173388257
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
CID 175143989
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407
2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride
CID 177256523
2-hydroxyethyl(trimethyl)azanium triiodide
CID 18406425
bis(2-hydroxyethyl(trimethyl)azanium);carbonate
CID 11701720

Frequently Asked Questions

What is the IUPAC name of hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium)?
The IUPAC name of hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium) (CID 87573240) is hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium).
What is the SMILES notation for hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium)?
The canonical SMILES for hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium) is C[N+](C)(C)CCO.C[N+](C)(C)CCO.F[Ti-2](F)(F)(F)(F)F.
What is the InChIKey of hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium)?
The InChIKey is SEUCSFSEVVTBHK-UHFFFAOYSA-H. The full InChI is InChI=1S/2C5H14NO.6FH.Ti/c2*1-6(2,3)4-5-7;;;;;;;/h2*7H,4-5H2,1-3H3;6*1H;/q2*+1;;;;;;;+4/p-6.
What are the key properties of hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium)?
hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium) has a molecular weight of 370.20 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexafluorotitanium(2-);bis(2-hydroxyethyl(trimethyl)azanium) is sourced from PubChem (CID 87573240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).