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

C8H15BF3KS — CID 107754354

IUPACpotassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide
SMILESC=C(CSCCCCC)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H15BF3S.K/c1-3-4-5-6-13-7-8(2)9(10,11)12;/h2-7H2,1H3;/q-1;+1
InChIKeyPFIPGVUMTDGNCM-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.86
Rot. Bonds7

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

potassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide (PubChem CID 107754354) has the molecular formula C8H15BF3KS and a molecular weight of 250.18 g/mol. Its IUPAC name is potassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide
PubChem CID107754354
Molecular FormulaC8H15BF3KS
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Namepotassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide
SMILESC=C(CSCCCCC)[B-](F)(F)F.[K+]
InChIInChI=1S/C8H15BF3S.K/c1-3-4-5-6-13-7-8(2)9(10,11)12;/h2-7H2,1H3;/q-1;+1
InChIKeyPFIPGVUMTDGNCM-UHFFFAOYSA-N
XLogP0.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.86
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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Related Compounds

trifluoro(3-propylsulfanylprop-1-en-2-yl)boranuide
CID 106746894
2-(pentylsulfanylmethyl)prop-2-ene-1-thiol
CID 107766469
3-butylsulfanyl-2-(butylsulfanylmethyl)prop-1-ene
CID 88752987
1-dodecylsulfanyldodecane;2-methylprop-1-ene
CID 88731676
tetrakis(2-(hexylsulfanylmethyl)prop-2-enoate);methane
CID 19613977
N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine
CID 107754110
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyloctane
CID 15742910
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-octadecylsulfanyloctacosane
CID 87077538

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide?
The IUPAC name of potassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide (CID 107754354) is potassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide.
What is the SMILES notation for potassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide?
The canonical SMILES for potassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide is C=C(CSCCCCC)[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide?
The InChIKey is PFIPGVUMTDGNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BF3S.K/c1-3-4-5-6-13-7-8(2)9(10,11)12;/h2-7H2,1H3;/q-1;+1.
What are the key properties of potassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide?
potassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide has a molecular weight of 250.18 g/mol, XLogP of 0.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide is sourced from PubChem (CID 107754354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).