trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide

C5H10BF3NOS- — CID 63702033

IUPACtrifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide
SMILESO=S1CCN(C[B-](F)(F)F)CC1
InChIInChI=1S/C5H10BF3NOS/c7-6(8,9)5-10-1-3-12(11)4-2-10/h1-5H2/q-1
InChIKeyXVPNMBLTCHMOAV-UHFFFAOYSA-N
MW200.01 g/mol
LogP0.44
Rot. Bonds2

About trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide

trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide (PubChem CID 63702033) has the molecular formula C5H10BF3NOS- and a molecular weight of 200.01 g/mol. Its IUPAC name is trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide
PubChem CID63702033
Molecular FormulaC5H10BF3NOS-
Molecular Weight200.01 g/mol
Exact Mass200.05
IUPAC Nametrifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide
SMILESO=S1CCN(C[B-](F)(F)F)CC1
InChIInChI=1S/C5H10BF3NOS/c7-6(8,9)5-10-1-3-12(11)4-2-10/h1-5H2/q-1
InChIKeyXVPNMBLTCHMOAV-UHFFFAOYSA-N
XLogP0.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.01
LogP ≤ 50.44
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 trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide?
The IUPAC name of trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide (CID 63702033) is trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide.
What is the SMILES notation for trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide?
The canonical SMILES for trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide is O=S1CCN(C[B-](F)(F)F)CC1.
What is the InChIKey of trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide?
The InChIKey is XVPNMBLTCHMOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BF3NOS/c7-6(8,9)5-10-1-3-12(11)4-2-10/h1-5H2/q-1.
What are the key properties of trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide?
trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide has a molecular weight of 200.01 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide is sourced from PubChem (CID 63702033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).