trifluoro-(2-methylthiophen-3-yl)boranuide

C5H5BF3S- — CID 102829045

IUPACtrifluoro-(2-methylthiophen-3-yl)boranuide
SMILESCc1sccc1[B-](F)(F)F
InChIInChI=1S/C5H5BF3S/c1-4-5(2-3-10-4)6(7,8)9/h2-3H,1H3/q-1
InChIKeyLNSFDGRXLVXXPY-UHFFFAOYSA-N
MW164.97 g/mol
LogP2.11
Rot. Bonds1

About trifluoro-(2-methylthiophen-3-yl)boranuide

trifluoro-(2-methylthiophen-3-yl)boranuide (PubChem CID 102829045) has the molecular formula C5H5BF3S- and a molecular weight of 164.97 g/mol. Its IUPAC name is trifluoro-(2-methylthiophen-3-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(2-methylthiophen-3-yl)boranuide
PubChem CID102829045
Molecular FormulaC5H5BF3S-
Molecular Weight164.97 g/mol
Exact Mass165.02
IUPAC Nametrifluoro-(2-methylthiophen-3-yl)boranuide
SMILESCc1sccc1[B-](F)(F)F
InChIInChI=1S/C5H5BF3S/c1-4-5(2-3-10-4)6(7,8)9/h2-3H,1H3/q-1
InChIKeyLNSFDGRXLVXXPY-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.97
LogP ≤ 52.11
H-Bond Donors ≤ 50
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-(2-methylthiophen-3-yl)boranuide?
The IUPAC name of trifluoro-(2-methylthiophen-3-yl)boranuide (CID 102829045) is trifluoro-(2-methylthiophen-3-yl)boranuide.
What is the SMILES notation for trifluoro-(2-methylthiophen-3-yl)boranuide?
The canonical SMILES for trifluoro-(2-methylthiophen-3-yl)boranuide is Cc1sccc1[B-](F)(F)F.
What is the InChIKey of trifluoro-(2-methylthiophen-3-yl)boranuide?
The InChIKey is LNSFDGRXLVXXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BF3S/c1-4-5(2-3-10-4)6(7,8)9/h2-3H,1H3/q-1.
What are the key properties of trifluoro-(2-methylthiophen-3-yl)boranuide?
trifluoro-(2-methylthiophen-3-yl)boranuide has a molecular weight of 164.97 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(2-methylthiophen-3-yl)boranuide is sourced from PubChem (CID 102829045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).