trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide

C9H8BF4S- — CID 106746928

IUPACtrifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide
SMILESC=C(CSc1ccc(F)cc1)[B-](F)(F)F
InChIInChI=1S/C9H8BF4S/c1-7(10(12,13)14)6-15-9-4-2-8(11)3-5-9/h2-5H,1,6H2/q-1
InChIKeyLAUTUFFHBFIQHM-UHFFFAOYSA-N
MW235.03 g/mol
LogP3.86
Rot. Bonds4

About trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide

trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide (PubChem CID 106746928) has the molecular formula C9H8BF4S- and a molecular weight of 235.03 g/mol. Its IUPAC name is trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide.

Molecular Properties

Compound Nametrifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide
PubChem CID106746928
Molecular FormulaC9H8BF4S-
Molecular Weight235.03 g/mol
Exact Mass235.04
IUPAC Nametrifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide
SMILESC=C(CSc1ccc(F)cc1)[B-](F)(F)F
InChIInChI=1S/C9H8BF4S/c1-7(10(12,13)14)6-15-9-4-2-8(11)3-5-9/h2-5H,1,6H2/q-1
InChIKeyLAUTUFFHBFIQHM-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.03
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-difluorophenyl)sulfanylprop-1-en-2-yl-trifluoroboranuide
CID 106746970
potassium 3-(3,4-dichlorophenyl)sulfanylprop-1-en-2-yl-trifluoroboranuide
CID 106747057
1-(4-fluorophenyl)sulfanyl-3-methylbut-3-en-2-one
CID 79189606
potassium 3-(3-chlorophenyl)sulfanylprop-1-en-2-yl-trifluoroboranuide
CID 106747013
2-(4-fluorophenyl)sulfanylacetate
CID 4115535
1-(4-fluorophenyl)sulfanyl-4-methylpent-4-en-2-one
CID 79180159
potassium trifluoro-[(4-fluorophenyl)sulfanylmethyl]boranuide
CID 63702096
potassium 2-(4-fluorophenyl)sulfanylacetate
CID 23670823
N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide
CID 66065533
1-ethylsulfanyl-4-fluorobenzene;methanol
CID 178124027
2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide
CID 66065532
1-(4-fluorophenyl)sulfanylpentan-2-one
CID 62043404

Frequently Asked Questions

What is the IUPAC name of trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide?
The IUPAC name of trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide (CID 106746928) is trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide.
What is the SMILES notation for trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide?
The canonical SMILES for trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide is C=C(CSc1ccc(F)cc1)[B-](F)(F)F.
What is the InChIKey of trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide?
The InChIKey is LAUTUFFHBFIQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BF4S/c1-7(10(12,13)14)6-15-9-4-2-8(11)3-5-9/h2-5H,1,6H2/q-1.
What are the key properties of trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide?
trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide has a molecular weight of 235.03 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[3-(4-fluorophenyl)sulfanylprop-1-en-2-yl]boranuide is sourced from PubChem (CID 106746928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).