lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate

C8H7F10LiO2 — CID 175979984

IUPAClithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate
SMILESCC(C[O-])OC(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C8H7F10O2.Li/c1-3(2-19)20-4(5(9,10)7(13,14)15)6(11,12)8(16,17)18;/h3-4H,2H2,1H3;/q-1;+1
InChIKeyQSSBMQOOPSDNLQ-UHFFFAOYSA-N
MW332.06 g/mol
LogP-0.48
Rot. Bonds5

About lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate

lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate (PubChem CID 175979984) has the molecular formula C8H7F10LiO2 and a molecular weight of 332.06 g/mol. Its IUPAC name is lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate.

Molecular Properties

Compound Namelithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate
PubChem CID175979984
Molecular FormulaC8H7F10LiO2
Molecular Weight332.06 g/mol
Exact Mass332.04
IUPAC Namelithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate
SMILESCC(C[O-])OC(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C8H7F10O2.Li/c1-3(2-19)20-4(5(9,10)7(13,14)15)6(11,12)8(16,17)18;/h3-4H,2H2,1H3;/q-1;+1
InChIKeyQSSBMQOOPSDNLQ-UHFFFAOYSA-N
XLogP-0.48
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.06
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate with MolForge

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Related Compounds

lithium 2-(2,2,2-trifluoroethoxy)propan-1-olate
CID 175980024
lithium 3-(2,2,2-trifluoroethoxy)butan-1-olate
CID 175980012
3-ethoxy-1,1,1,2,2,4,4,4-octafluorobutane
CID 54448853
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol
CID 175979976
1,1,1-trifluoro-2-(1-methoxyethoxy)ethane
CID 87508044
1,1,1,2,3,3-hexafluoro-4-[3,3,4,5,5,5-hexafluoro-4-(trifluoromethyl)pentan-2-yl]oxy-2-(trifluoromethyl)pentane
CID 141059311
4-chloro-1,1,1,2,2-pentafluoro-3-methylbutane
CID 12613474
4-bromo-1,1,1,2,2-pentafluoro-3-iodobutane
CID 22613639
1,1,1,2,2-pentafluoropentan-3-yl sulfate
CID 154047276
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-methyl-8-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-methyldecan-3-yl)oxydecane
CID 175309033
2-methyl-3-(2,2,2-trifluoroethoxy)butane
CID 59061021
1,1,1,2,2-pentafluoro-3-(3,3,4,4,4-pentafluorobutan-2-ylsulfanyl)butane
CID 87128143

Frequently Asked Questions

What is the IUPAC name of lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate?
The IUPAC name of lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate (CID 175979984) is lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate.
What is the SMILES notation for lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate?
The canonical SMILES for lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate is CC(C[O-])OC(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate?
The InChIKey is QSSBMQOOPSDNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F10O2.Li/c1-3(2-19)20-4(5(9,10)7(13,14)15)6(11,12)8(16,17)18;/h3-4H,2H2,1H3;/q-1;+1.
What are the key properties of lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate?
lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate has a molecular weight of 332.06 g/mol, XLogP of -0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yloxy)propan-1-olate is sourced from PubChem (CID 175979984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).