lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate

C3F7LiO — CID 88813201

IUPAClithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate
SMILES[Li+].[O-]C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F7O.Li/c4-1(11,2(5,6)7)3(8,9)10;/q-1;+1
InChIKeyVGKQPCALDLEVPN-UHFFFAOYSA-N
MW191.96 g/mol
LogP-1.86
Rot. Bonds

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

lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate (PubChem CID 88813201) has the molecular formula C3F7LiO and a molecular weight of 191.96 g/mol. Its IUPAC name is lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate.

Molecular Properties

Compound Namelithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate
PubChem CID88813201
Molecular FormulaC3F7LiO
Molecular Weight191.96 g/mol
Exact Mass192.00
IUPAC Namelithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate
SMILES[Li+].[O-]C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3F7O.Li/c4-1(11,2(5,6)7)3(8,9)10;/q-1;+1
InChIKeyVGKQPCALDLEVPN-UHFFFAOYSA-N
XLogP-1.86
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.96
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium trifluoromethanolate
CID 20660966
potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate
CID 23686533
sodium trifluoromethanolate
CID 23669108
lithium 1,1,1,2,3,3-hexafluoropropan-2-olate
CID 87456805
lithium;boric acid;trifluoromethanolate
CID 159254971
cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)
CID 173155428
bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum
CID 158302613
lithium 1,1,1,3,3,3-hexafluoro-2-(2H-pyridin-1-ium-2-id-1-yl)propan-2-olate
CID 13183303
tris(1,1,1,2,3,3-hexafluoropropan-2-olate);yttrium(3+)
CID 173459707
1,1,2,2,2-pentafluoroethanesulfonate
CID 22062497
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecan-1-olate
CID 176897459
sodium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane-2-sulfonate
CID 175688576

Frequently Asked Questions

What is the IUPAC name of lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate?
The IUPAC name of lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate (CID 88813201) is lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate.
What is the SMILES notation for lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate?
The canonical SMILES for lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate is [Li+].[O-]C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate?
The InChIKey is VGKQPCALDLEVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F7O.Li/c4-1(11,2(5,6)7)3(8,9)10;/q-1;+1.
What are the key properties of lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate?
lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate has a molecular weight of 191.96 g/mol, XLogP of -1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate is sourced from PubChem (CID 88813201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).