lithium 1,1,1,2,3,3-hexafluoropropan-2-olate

C3HF6LiO — CID 87456805

IUPAClithium 1,1,1,2,3,3-hexafluoropropan-2-olate
SMILES[Li+].[O-]C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C3HF6O.Li/c4-1(5)2(6,10)3(7,8)9;/h1H;/q-1;+1
InChIKeyMEUCKYISCQRBMU-UHFFFAOYSA-N
MW173.97 g/mol
LogP-2.16
Rot. Bonds1

About lithium 1,1,1,2,3,3-hexafluoropropan-2-olate

lithium 1,1,1,2,3,3-hexafluoropropan-2-olate (PubChem CID 87456805) has the molecular formula C3HF6LiO and a molecular weight of 173.97 g/mol. Its IUPAC name is lithium 1,1,1,2,3,3-hexafluoropropan-2-olate.

Molecular Properties

Compound Namelithium 1,1,1,2,3,3-hexafluoropropan-2-olate
PubChem CID87456805
Molecular FormulaC3HF6LiO
Molecular Weight173.97 g/mol
Exact Mass174.01
IUPAC Namelithium 1,1,1,2,3,3-hexafluoropropan-2-olate
SMILES[Li+].[O-]C(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C3HF6O.Li/c4-1(5)2(6,10)3(7,8)9;/h1H;/q-1;+1
InChIKeyMEUCKYISCQRBMU-UHFFFAOYSA-N
XLogP-2.16
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.97
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+)
CID 173459707
lithium trifluoromethanolate
CID 20660966
lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate
CID 88813201
lithium;hydride;1,1,1,2,2-pentafluoroethane
CID 173225751
2-deuteriooxy-1,1,1,2,3,3-hexafluoropropane
CID 13350569
1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
CID 175862099
1,1,1,2,2,3,3-heptafluoropropane;methane
CID 158693034
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992
CID 172837284
CID 172837284
lithium 1,1,2,2-tetrafluoroethanesulfonate
CID 87303573
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
CID 146226075
CID 146226075

Frequently Asked Questions

What is the IUPAC name of lithium 1,1,1,2,3,3-hexafluoropropan-2-olate?
The IUPAC name of lithium 1,1,1,2,3,3-hexafluoropropan-2-olate (CID 87456805) is lithium 1,1,1,2,3,3-hexafluoropropan-2-olate.
What is the SMILES notation for lithium 1,1,1,2,3,3-hexafluoropropan-2-olate?
The canonical SMILES for lithium 1,1,1,2,3,3-hexafluoropropan-2-olate is [Li+].[O-]C(F)(C(F)F)C(F)(F)F.
What is the InChIKey of lithium 1,1,1,2,3,3-hexafluoropropan-2-olate?
The InChIKey is MEUCKYISCQRBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6O.Li/c4-1(5)2(6,10)3(7,8)9;/h1H;/q-1;+1.
What are the key properties of lithium 1,1,1,2,3,3-hexafluoropropan-2-olate?
lithium 1,1,1,2,3,3-hexafluoropropan-2-olate has a molecular weight of 173.97 g/mol, XLogP of -2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,1,2,3,3-hexafluoropropan-2-olate is sourced from PubChem (CID 87456805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).