trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide

C5H11BF3NS — CID 53243772

IUPACtrifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide
SMILESF[B-](F)(F)C[NH+]1CCSCC1
InChIInChI=1S/C5H10BF3NS/c7-6(8,9)5-10-1-3-11-4-2-10/h1-5H2/q-1/p+1
InChIKeyVUNVVPNMYVRSKZ-UHFFFAOYSA-O
MW185.02 g/mol
LogP0.00
Rot. Bonds2

About trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide

trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide (PubChem CID 53243772) has the molecular formula C5H11BF3NS and a molecular weight of 185.02 g/mol. Its IUPAC name is trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide.

Molecular Properties

Compound Nametrifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide
PubChem CID53243772
Molecular FormulaC5H11BF3NS
Molecular Weight185.02 g/mol
Exact Mass185.07
IUPAC Nametrifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide
SMILESF[B-](F)(F)C[NH+]1CCSCC1
InChIInChI=1S/C5H10BF3NS/c7-6(8,9)5-10-1-3-11-4-2-10/h1-5H2/q-1/p+1
InChIKeyVUNVVPNMYVRSKZ-UHFFFAOYSA-O
XLogP0.00
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.02
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide?
The IUPAC name of trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide (CID 53243772) is trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide.
What is the SMILES notation for trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide?
The canonical SMILES for trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide is F[B-](F)(F)C[NH+]1CCSCC1.
What is the InChIKey of trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide?
The InChIKey is VUNVVPNMYVRSKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10BF3NS/c7-6(8,9)5-10-1-3-11-4-2-10/h1-5H2/q-1/p+1.
What are the key properties of trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide?
trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide has a molecular weight of 185.02 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(thiomorpholin-4-ium-4-ylmethyl)boranuide is sourced from PubChem (CID 53243772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).