trifluoro(2-propylsulfonylethyl)boranuide

C5H11BF3O2S- — CID 106731494

IUPACtrifluoro(2-propylsulfonylethyl)boranuide
SMILESCCCS(=O)(=O)CC[B-](F)(F)F
InChIInChI=1S/C5H11BF3O2S/c1-2-4-12(10,11)5-3-6(7,8)9/h2-5H2,1H3/q-1
InChIKeyMQXWTDFBIXUFFJ-UHFFFAOYSA-N
MW203.01 g/mol
LogP1.66
Rot. Bonds5

About trifluoro(2-propylsulfonylethyl)boranuide

trifluoro(2-propylsulfonylethyl)boranuide (PubChem CID 106731494) has the molecular formula C5H11BF3O2S- and a molecular weight of 203.01 g/mol. Its IUPAC name is trifluoro(2-propylsulfonylethyl)boranuide.

Molecular Properties

Compound Nametrifluoro(2-propylsulfonylethyl)boranuide
PubChem CID106731494
Molecular FormulaC5H11BF3O2S-
Molecular Weight203.01 g/mol
Exact Mass203.05
IUPAC Nametrifluoro(2-propylsulfonylethyl)boranuide
SMILESCCCS(=O)(=O)CC[B-](F)(F)F
InChIInChI=1S/C5H11BF3O2S/c1-2-4-12(10,11)5-3-6(7,8)9/h2-5H2,1H3/q-1
InChIKeyMQXWTDFBIXUFFJ-UHFFFAOYSA-N
XLogP1.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.01
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propylsulfonylpropane
CID 11709
2-propylsulfonylethanamine;hydrochloride
CID 87608994
2-propylsulfonylethylboronic acid
CID 106731489
lithium propane-1-sulfonate
CID 131984534
2,2-dimethyl-5-propylsulfonylpentan-1-amine
CID 65263142
7-propylsulfonylheptan-3-ol
CID 106732439
potassium propane-1-sulfonate
CID 23693600
cerium(3+);tris(propane-1-sulfonate)
CID 159815250
2,3,4,5,6-pentafluoro-N-(2-propylsulfonylethyl)aniline
CID 106724196
1-prop-2-ynylsulfonylpropane
CID 82369012
1-bromo-2-methyl-4-propylsulfonylbutane
CID 106734589
N-(2-propylsulfonylethyl)acetamide
CID 142065321

Frequently Asked Questions

What is the IUPAC name of trifluoro(2-propylsulfonylethyl)boranuide?
The IUPAC name of trifluoro(2-propylsulfonylethyl)boranuide (CID 106731494) is trifluoro(2-propylsulfonylethyl)boranuide.
What is the SMILES notation for trifluoro(2-propylsulfonylethyl)boranuide?
The canonical SMILES for trifluoro(2-propylsulfonylethyl)boranuide is CCCS(=O)(=O)CC[B-](F)(F)F.
What is the InChIKey of trifluoro(2-propylsulfonylethyl)boranuide?
The InChIKey is MQXWTDFBIXUFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BF3O2S/c1-2-4-12(10,11)5-3-6(7,8)9/h2-5H2,1H3/q-1.
What are the key properties of trifluoro(2-propylsulfonylethyl)boranuide?
trifluoro(2-propylsulfonylethyl)boranuide has a molecular weight of 203.01 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(2-propylsulfonylethyl)boranuide is sourced from PubChem (CID 106731494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).