potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide

C9H15BF3KS — CID 106746987

IUPACpotassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide
SMILESC=C(CSC1CCCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H15BF3S.K/c1-8(10(11,12)13)7-14-9-5-3-2-4-6-9;/h9H,1-7H2;/q-1;+1
InChIKeyDNBDORYZELADHP-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.00
Rot. Bonds4

About potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide

potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide (PubChem CID 106746987) has the molecular formula C9H15BF3KS and a molecular weight of 262.19 g/mol. Its IUPAC name is potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide.

Molecular Properties

Compound Namepotassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide
PubChem CID106746987
Molecular FormulaC9H15BF3KS
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Namepotassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide
SMILESC=C(CSC1CCCCC1)[B-](F)(F)F.[K+]
InChIInChI=1S/C9H15BF3S.K/c1-8(10(11,12)13)7-14-9-5-3-2-4-6-9;/h9H,1-7H2;/q-1;+1
InChIKeyDNBDORYZELADHP-UHFFFAOYSA-N
XLogP1.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.00
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

potassium 3-cyclopentylsulfanylprop-1-en-2-yl(trifluoro)boranuide
CID 106747029
1-cyclopentylsulfanyl-4-methylpent-4-en-2-one
CID 79179966
3-(cyclohexylmethoxy)prop-1-en-2-yl-trifluoroboranuide
CID 106746762
2-cyclohexylsulfanyl-1-(2,6-difluorophenyl)ethanone
CID 60884745
2-cyclopentylsulfanyl-1-piperidin-1-ylethanone
CID 47003991
N-tert-butyl-2-(cyclopentylsulfanylmethyl)prop-2-en-1-amine
CID 103068549
2-cyclohexylsulfanyl-N'-(2-methylpropyl)ethanimidamide
CID 65144617
2-cyclohexylsulfanyl-1-(4-ethylcyclohexyl)ethanone
CID 65139373
2-cyclohexylsulfanyl-N-(4-fluorophenyl)acetamide
CID 734043
ethylsulfanylcycloheptane
CID 67666697
cyclohexylsulfanylmethanamine
CID 18729999
1-cyclohexylsulfanyl-N-ethyl-3-methylbut-3-en-2-amine
CID 79180264

Frequently Asked Questions

What is the IUPAC name of potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide?
The IUPAC name of potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide (CID 106746987) is potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide.
What is the SMILES notation for potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide?
The canonical SMILES for potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide is C=C(CSC1CCCCC1)[B-](F)(F)F.[K+].
What is the InChIKey of potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide?
The InChIKey is DNBDORYZELADHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BF3S.K/c1-8(10(11,12)13)7-14-9-5-3-2-4-6-9;/h9H,1-7H2;/q-1;+1.
What are the key properties of potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide?
potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide has a molecular weight of 262.19 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-cyclohexylsulfanylprop-1-en-2-yl(trifluoro)boranuide is sourced from PubChem (CID 106746987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).