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

C3HF6LiO — CID 23673051

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

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

lithium 1,1,1,3,3,3-hexafluoropropan-2-olate (PubChem CID 23673051) has the molecular formula C3HF6LiO and a molecular weight of 173.97 g/mol. Its IUPAC name is lithium 1,1,1,3,3,3-hexafluoropropan-2-olate.

Molecular Properties

Compound Namelithium 1,1,1,3,3,3-hexafluoropropan-2-olate
PubChem CID23673051
Molecular FormulaC3HF6LiO
Molecular Weight173.97 g/mol
Exact Mass174.01
IUPAC Namelithium 1,1,1,3,3,3-hexafluoropropan-2-olate
SMILES[Li+].[O-]C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF6O.Li/c4-2(5,6)1(10)3(7,8)9;/h1H;/q-1;+1
InChIKeyHOTBIMZWHWHNKJ-UHFFFAOYSA-N
XLogP-2.16
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

Sevoflurane
CID 5206
1,1,1,3,3,3-Hexafluoro-2-propaneolate
CID 4080351
2-(Difluoromethoxy)-1,1,1,3,3,3-hexafluoropropane
CID 10932890
Sodium 1,1,1,3,3,3-hexafluoropropan-2-olate
CID 23676101
d2-Hexafluoroisopropanol
CID 140845523
1,1,1,3,3,3-Hexafluoropropan-2-yl hypobromite
CID 172868430
1-(18F)fluoro-1,1,3,3,3-pentafluoro-2-(fluoromethoxy)propane
CID 172440854
2-[Dideuterio(fluoro)methoxy]-1,1,1,3,3,3-hexafluoropropane
CID 10176580
2-(Trifluoromethoxy)-1,1,1,3,3,3-hexafluoropropane
CID 11009932
2,2,2-Trifluoro-1-(trifluoromethyl)ethoxysulfur trifluoride
CID 12797938
CID 18659309
CID 18659309
1,1,1-Trifluoropropan-2-yl hypofluorite
CID 18924249

Frequently Asked Questions

What is the IUPAC name of lithium 1,1,1,3,3,3-hexafluoropropan-2-olate?
The IUPAC name of lithium 1,1,1,3,3,3-hexafluoropropan-2-olate (CID 23673051) is lithium 1,1,1,3,3,3-hexafluoropropan-2-olate.
What is the SMILES notation for lithium 1,1,1,3,3,3-hexafluoropropan-2-olate?
The canonical SMILES for lithium 1,1,1,3,3,3-hexafluoropropan-2-olate is [Li+].[O-]C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of lithium 1,1,1,3,3,3-hexafluoropropan-2-olate?
The InChIKey is HOTBIMZWHWHNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6O.Li/c4-2(5,6)1(10)3(7,8)9;/h1H;/q-1;+1.
What are the key properties of lithium 1,1,1,3,3,3-hexafluoropropan-2-olate?
lithium 1,1,1,3,3,3-hexafluoropropan-2-olate has a molecular weight of 173.97 g/mol, XLogP of -2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,1,3,3,3-hexafluoropropan-2-olate is sourced from PubChem (CID 23673051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).