lithium 3-fluoro-2-hydroxypropanoate

C3H4FLiO3 — CID 167714302

IUPAClithium 3-fluoro-2-hydroxypropanoate
SMILESO=C([O-])C(O)CF.[Li+]
InChIInChI=1S/C3H5FO3.Li/c4-1-2(5)3(6)7;/h2,5H,1H2,(H,6,7);/q;+1/p-1
InChIKeyRCCUORIHBOVMRY-UHFFFAOYSA-M
MW114.00 g/mol
LogP-4.93
Rot. Bonds2

About lithium 3-fluoro-2-hydroxypropanoate

lithium 3-fluoro-2-hydroxypropanoate (PubChem CID 167714302) has the molecular formula C3H4FLiO3 and a molecular weight of 114.00 g/mol. Its IUPAC name is lithium 3-fluoro-2-hydroxypropanoate.

Molecular Properties

Compound Namelithium 3-fluoro-2-hydroxypropanoate
PubChem CID167714302
Molecular FormulaC3H4FLiO3
Molecular Weight114.00 g/mol
Exact Mass114.03
IUPAC Namelithium 3-fluoro-2-hydroxypropanoate
SMILESO=C([O-])C(O)CF.[Li+]
InChIInChI=1S/C3H5FO3.Li/c4-1-2(5)3(6)7;/h2,5H,1H2,(H,6,7);/q;+1/p-1
InChIKeyRCCUORIHBOVMRY-UHFFFAOYSA-M
XLogP-4.93
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.00
LogP ≤ 5-4.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cadmium(2+);bis(2,3-dihydroxypropanoate)
CID 175584526
lithium 2-hydroxy-3-methoxypropanoate
CID 59108825
copper;2,3-dihydroxypropanoate;sulfate
CID 158883106
disodium;(2S)-2-hydroxybutanedioate
CID 6097189
tris(2-hydroxybutanedioate);bis(yttrium(3+))
CID 173103435
disilver;2-hydroxybutanedioate
CID 14299093
tris(2-hydroxybutanedioate);bis(terbium(3+))
CID 173160363
cadmium(2+);2-hydroxybutanedioate
CID 87607349
2,3-dihydroxypropanoate triacetate
CID 22325987
(2R)-4-azaniumyl-2-hydroxybutanoate
CID 38988563
azanium;sodium;(2S)-2-hydroxybutanedioate
CID 141157633
2-hydroxybutanedioate;oxozirconium(2+)
CID 87184139

Frequently Asked Questions

What is the IUPAC name of lithium 3-fluoro-2-hydroxypropanoate?
The IUPAC name of lithium 3-fluoro-2-hydroxypropanoate (CID 167714302) is lithium 3-fluoro-2-hydroxypropanoate.
What is the SMILES notation for lithium 3-fluoro-2-hydroxypropanoate?
The canonical SMILES for lithium 3-fluoro-2-hydroxypropanoate is O=C([O-])C(O)CF.[Li+].
What is the InChIKey of lithium 3-fluoro-2-hydroxypropanoate?
The InChIKey is RCCUORIHBOVMRY-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5FO3.Li/c4-1-2(5)3(6)7;/h2,5H,1H2,(H,6,7);/q;+1/p-1.
What are the key properties of lithium 3-fluoro-2-hydroxypropanoate?
lithium 3-fluoro-2-hydroxypropanoate has a molecular weight of 114.00 g/mol, XLogP of -4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-fluoro-2-hydroxypropanoate is sourced from PubChem (CID 167714302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).