trifluoro(pentylsulfanylmethyl)boranuide

C6H13BF3S- — CID 107761095

IUPACtrifluoro(pentylsulfanylmethyl)boranuide
SMILESCCCCCSC[B-](F)(F)F
InChIInChI=1S/C6H13BF3S/c1-2-3-4-5-11-6-7(8,9)10/h2-6H2,1H3/q-1
InChIKeyMCZLMMVJDRIURO-UHFFFAOYSA-N
MW185.04 g/mol
LogP3.30
Rot. Bonds6

About trifluoro(pentylsulfanylmethyl)boranuide

trifluoro(pentylsulfanylmethyl)boranuide (PubChem CID 107761095) has the molecular formula C6H13BF3S- and a molecular weight of 185.04 g/mol. Its IUPAC name is trifluoro(pentylsulfanylmethyl)boranuide.

Molecular Properties

Compound Nametrifluoro(pentylsulfanylmethyl)boranuide
PubChem CID107761095
Molecular FormulaC6H13BF3S-
Molecular Weight185.04 g/mol
Exact Mass185.08
IUPAC Nametrifluoro(pentylsulfanylmethyl)boranuide
SMILESCCCCCSC[B-](F)(F)F
InChIInChI=1S/C6H13BF3S/c1-2-3-4-5-11-6-7(8,9)10/h2-6H2,1H3/q-1
InChIKeyMCZLMMVJDRIURO-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.04
LogP ≤ 53.30
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(pentylsulfanylmethyl)boranuide?
The IUPAC name of trifluoro(pentylsulfanylmethyl)boranuide (CID 107761095) is trifluoro(pentylsulfanylmethyl)boranuide.
What is the SMILES notation for trifluoro(pentylsulfanylmethyl)boranuide?
The canonical SMILES for trifluoro(pentylsulfanylmethyl)boranuide is CCCCCSC[B-](F)(F)F.
What is the InChIKey of trifluoro(pentylsulfanylmethyl)boranuide?
The InChIKey is MCZLMMVJDRIURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BF3S/c1-2-3-4-5-11-6-7(8,9)10/h2-6H2,1H3/q-1.
What are the key properties of trifluoro(pentylsulfanylmethyl)boranuide?
trifluoro(pentylsulfanylmethyl)boranuide has a molecular weight of 185.04 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(pentylsulfanylmethyl)boranuide is sourced from PubChem (CID 107761095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).