potassium 5-(trifluoromethyl)furan-5-id-2-one

C5H2F3KO2 — CID 10465115

IUPACpotassium 5-(trifluoromethyl)furan-5-id-2-one
SMILESO=c1cc[c-](C(F)(F)F)o1.[K+]
InChIInChI=1S/C5H2F3O2.K/c6-5(7,8)3-1-2-4(9)10-3;/h1-2H;/q-1;+1
InChIKeySAIYYQDHXOKPQU-UHFFFAOYSA-N
MW190.16 g/mol
LogP-1.62
Rot. Bonds

About potassium 5-(trifluoromethyl)furan-5-id-2-one

potassium 5-(trifluoromethyl)furan-5-id-2-one (PubChem CID 10465115) has the molecular formula C5H2F3KO2 and a molecular weight of 190.16 g/mol. Its IUPAC name is potassium 5-(trifluoromethyl)furan-5-id-2-one.

Molecular Properties

Compound Namepotassium 5-(trifluoromethyl)furan-5-id-2-one
PubChem CID10465115
Molecular FormulaC5H2F3KO2
Molecular Weight190.16 g/mol
Exact Mass189.96
IUPAC Namepotassium 5-(trifluoromethyl)furan-5-id-2-one
SMILESO=c1cc[c-](C(F)(F)F)o1.[K+]
InChIInChI=1S/C5H2F3O2.K/c6-5(7,8)3-1-2-4(9)10-3;/h1-2H;/q-1;+1
InChIKeySAIYYQDHXOKPQU-UHFFFAOYSA-N
XLogP-1.62
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(Trifluoromethyl)furan-2(5H)-one
CID 10419364
5-Methyl-5-(2,2,2-trifluoroethyl)furan-2-one
CID 57457743
2-(2,2,2-trifluoroethyl)-2H-furan-5-one
CID 91052440
(5R)-5-methyl-5-(2,2,2-trifluoroethyl)furan-2-one
CID 152565623
3,3-Difluoropyran-2,6-dione
CID 175468156
Trifluoromethyl 2,5,5,5-tetrafluoropent-2-enoate
CID 176058842
(5E)-5-(1,2,2,3,3,3-hexafluoropropylidene)furan-2-one
CID 9991521
2-(difluoromethyl)-2H-furan-5-one
CID 10103215
(5Z)-5-(1,2,2,3,3,3-hexafluoropropylidene)furan-2-one
CID 10105319
5,5-Difluoro-2(5H)-furanone
CID 23235151
5-Hydroxy-5-(trifluoromethyl)furan-2-one
CID 72697424
5-Ethyl-5-(trifluoromethyl)furan-2-one
CID 72697426

Frequently Asked Questions

What is the IUPAC name of potassium 5-(trifluoromethyl)furan-5-id-2-one?
The IUPAC name of potassium 5-(trifluoromethyl)furan-5-id-2-one (CID 10465115) is potassium 5-(trifluoromethyl)furan-5-id-2-one.
What is the SMILES notation for potassium 5-(trifluoromethyl)furan-5-id-2-one?
The canonical SMILES for potassium 5-(trifluoromethyl)furan-5-id-2-one is O=c1cc[c-](C(F)(F)F)o1.[K+].
What is the InChIKey of potassium 5-(trifluoromethyl)furan-5-id-2-one?
The InChIKey is SAIYYQDHXOKPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3O2.K/c6-5(7,8)3-1-2-4(9)10-3;/h1-2H;/q-1;+1.
What are the key properties of potassium 5-(trifluoromethyl)furan-5-id-2-one?
potassium 5-(trifluoromethyl)furan-5-id-2-one has a molecular weight of 190.16 g/mol, XLogP of -1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-(trifluoromethyl)furan-5-id-2-one is sourced from PubChem (CID 10465115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).