potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride

C5H10BF3KNS — CID 66524805

IUPACpotassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride
SMILESFB(F)CN1CCSCC1.[F-].[K+]
InChIInChI=1S/C5H10BF2NS.FH.K/c7-6(8)5-9-1-3-10-4-2-9;;/h1-5H2;1H;/q;;+1/p-1
InChIKeyDIWPEVKSESRCFV-UHFFFAOYSA-M
MW223.11 g/mol
LogP-4.99
Rot. Bonds2

About potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride

potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride (PubChem CID 66524805) has the molecular formula C5H10BF3KNS and a molecular weight of 223.11 g/mol. Its IUPAC name is potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride.

Molecular Properties

Compound Namepotassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride
PubChem CID66524805
Molecular FormulaC5H10BF3KNS
Molecular Weight223.11 g/mol
Exact Mass223.02
IUPAC Namepotassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride
SMILESFB(F)CN1CCSCC1.[F-].[K+]
InChIInChI=1S/C5H10BF2NS.FH.K/c7-6(8)5-9-1-3-10-4-2-9;;/h1-5H2;1H;/q;;+1/p-1
InChIKeyDIWPEVKSESRCFV-UHFFFAOYSA-M
XLogP-4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 5-4.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride?
The IUPAC name of potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride (CID 66524805) is potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride.
What is the SMILES notation for potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride?
The canonical SMILES for potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride is FB(F)CN1CCSCC1.[F-].[K+].
What is the InChIKey of potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride?
The InChIKey is DIWPEVKSESRCFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10BF2NS.FH.K/c7-6(8)5-9-1-3-10-4-2-9;;/h1-5H2;1H;/q;;+1/p-1.
What are the key properties of potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride?
potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride has a molecular weight of 223.11 g/mol, XLogP of -4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;difluoro(thiomorpholin-4-ylmethyl)borane;fluoride is sourced from PubChem (CID 66524805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).