lithium;1-bromo-2,2,2-trifluoroethanol;hydride

C2H3BrF3LiO — CID 175003537

IUPAClithium;1-bromo-2,2,2-trifluoroethanol;hydride
SMILESOC(Br)C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C2H2BrF3O.Li.H/c3-1(7)2(4,5)6;;/h1,7H;;/q;+1;-1
InChIKeyLGRGBHTXSDOPKP-UHFFFAOYSA-N
MW186.88 g/mol
LogP-1.62
Rot. Bonds

About lithium;1-bromo-2,2,2-trifluoroethanol;hydride

lithium;1-bromo-2,2,2-trifluoroethanol;hydride (PubChem CID 175003537) has the molecular formula C2H3BrF3LiO and a molecular weight of 186.88 g/mol. Its IUPAC name is lithium;1-bromo-2,2,2-trifluoroethanol;hydride.

Molecular Properties

Compound Namelithium;1-bromo-2,2,2-trifluoroethanol;hydride
PubChem CID175003537
Molecular FormulaC2H3BrF3LiO
Molecular Weight186.88 g/mol
Exact Mass185.95
IUPAC Namelithium;1-bromo-2,2,2-trifluoroethanol;hydride
SMILESOC(Br)C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C2H2BrF3O.Li.H/c3-1(7)2(4,5)6;;/h1,7H;;/q;+1;-1
InChIKeyLGRGBHTXSDOPKP-UHFFFAOYSA-N
XLogP-1.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.88
LogP ≤ 5-1.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2,3-dibromo-1,1,1,4,4,4-hexafluorobutane
CID 97291901
lithium;hydride;1,1,1,2,2-pentafluoroethane
CID 173225751
2,4-dibromo-1,1,1,5,5,5-hexafluoropentan-3-one
CID 151490866
1,1,1,3,3,3-hexafluoropropan-2-ol;sulfuric acid
CID 146471813
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
3-bromo-1,1,1-trifluoro-3-hydroxypropan-2-one
CID 162585373
1,2,3,3,3-pentafluoropropan-1-ol
CID 23510551
(2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane
CID 97291114
3-bromo-1,1,1,2,3-pentafluoropropane
CID 101059408
1,1,2-tribromo-1,3,3,3-tetrafluoropropane
CID 165362109
(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
CID 135017833
1-bromo-2,2-difluoroethanol
CID 87083635

Frequently Asked Questions

What is the IUPAC name of lithium;1-bromo-2,2,2-trifluoroethanol;hydride?
The IUPAC name of lithium;1-bromo-2,2,2-trifluoroethanol;hydride (CID 175003537) is lithium;1-bromo-2,2,2-trifluoroethanol;hydride.
What is the SMILES notation for lithium;1-bromo-2,2,2-trifluoroethanol;hydride?
The canonical SMILES for lithium;1-bromo-2,2,2-trifluoroethanol;hydride is OC(Br)C(F)(F)F.[H-].[Li+].
What is the InChIKey of lithium;1-bromo-2,2,2-trifluoroethanol;hydride?
The InChIKey is LGRGBHTXSDOPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2BrF3O.Li.H/c3-1(7)2(4,5)6;;/h1,7H;;/q;+1;-1.
What are the key properties of lithium;1-bromo-2,2,2-trifluoroethanol;hydride?
lithium;1-bromo-2,2,2-trifluoroethanol;hydride has a molecular weight of 186.88 g/mol, XLogP of -1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-bromo-2,2,2-trifluoroethanol;hydride is sourced from PubChem (CID 175003537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).