trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide

C6H11BF3S- — CID 106746894

IUPACtrifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide
SMILESC=C(CSCCC)[B-](F)(F)F
InChIInChI=1S/C6H11BF3S/c1-3-4-11-5-6(2)7(8,9)10/h2-5H2,1H3/q-1
InChIKeyZHXCKLKFXILQLQ-UHFFFAOYSA-N
MW183.03 g/mol
LogP3.07
Rot. Bonds5

About trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide

trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide (PubChem CID 106746894) has the molecular formula C6H11BF3S- and a molecular weight of 183.03 g/mol. Its IUPAC name is trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide.

Molecular Properties

Compound Nametrifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide
PubChem CID106746894
Molecular FormulaC6H11BF3S-
Molecular Weight183.03 g/mol
Exact Mass183.06
IUPAC Nametrifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide
SMILESC=C(CSCCC)[B-](F)(F)F
InChIInChI=1S/C6H11BF3S/c1-3-4-11-5-6(2)7(8,9)10/h2-5H2,1H3/q-1
InChIKeyZHXCKLKFXILQLQ-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.03
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide?
The IUPAC name of trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide (CID 106746894) is trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide.
What is the SMILES notation for trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide?
The canonical SMILES for trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide is C=C(CSCCC)[B-](F)(F)F.
What is the InChIKey of trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide?
The InChIKey is ZHXCKLKFXILQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BF3S/c1-3-4-11-5-6(2)7(8,9)10/h2-5H2,1H3/q-1.
What are the key properties of trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide?
trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide has a molecular weight of 183.03 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide is sourced from PubChem (CID 106746894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).