potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate

C6F13KO — CID 156775939

IUPACpotassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate
SMILES[K+].[O-]C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F13O.K/c7-2(8,5(15,16)17)1(3(9,10)11,4(12,13)14)6(18,19)20;/q-1;+1
InChIKeyVMPVDNVJWIXWSQ-UHFFFAOYSA-N
MW374.14 g/mol
LogP0.25
Rot. Bonds2

About potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate

potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate (PubChem CID 156775939) has the molecular formula C6F13KO and a molecular weight of 374.14 g/mol. Its IUPAC name is potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate.

Molecular Properties

Compound Namepotassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate
PubChem CID156775939
Molecular FormulaC6F13KO
Molecular Weight374.14 g/mol
Exact Mass373.94
IUPAC Namepotassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate
SMILES[K+].[O-]C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6F13O.K/c7-2(8,5(15,16)17)1(3(9,10)11,4(12,13)14)6(18,19)20;/q-1;+1
InChIKeyVMPVDNVJWIXWSQ-UHFFFAOYSA-N
XLogP0.25
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.14
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate
CID 23686533
disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate
CID 170558309
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctan-1-olate;tetramethylazanium
CID 162346584
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
[1,1,2,2,4,4,5,5,5-nonafluoro-3,3-bis(trifluoromethyl)pentyl] carbonate
CID 154502767
sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate
CID 23682889
1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane
CID 15006634

Frequently Asked Questions

What is the IUPAC name of potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate?
The IUPAC name of potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate (CID 156775939) is potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate.
What is the SMILES notation for potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate?
The canonical SMILES for potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate is [K+].[O-]C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate?
The InChIKey is VMPVDNVJWIXWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F13O.K/c7-2(8,5(15,16)17)1(3(9,10)11,4(12,13)14)6(18,19)20;/q-1;+1.
What are the key properties of potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate?
potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate has a molecular weight of 374.14 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,3,3,4,4,4-heptafluoro-2,2-bis(trifluoromethyl)butan-1-olate is sourced from PubChem (CID 156775939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).