potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide

C13H16BF4KO — CID 107007667

IUPACpotassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide
SMILESC=CCCCCCOc1cc(F)ccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C13H16BF4O.K/c1-2-3-4-5-6-9-19-13-10-11(15)7-8-12(13)14(16,17)18;/h2,7-8,10H,1,3-6,9H2;/q-1;+1
InChIKeyOSYRTHIBLFWGQG-UHFFFAOYSA-N
MW314.17 g/mol
LogP1.01
Rot. Bonds8

About potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide

potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide (PubChem CID 107007667) has the molecular formula C13H16BF4KO and a molecular weight of 314.17 g/mol. Its IUPAC name is potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide
PubChem CID107007667
Molecular FormulaC13H16BF4KO
Molecular Weight314.17 g/mol
Exact Mass314.09
IUPAC Namepotassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide
SMILESC=CCCCCCOc1cc(F)ccc1[B-](F)(F)F.[K+]
InChIInChI=1S/C13H16BF4O.K/c1-2-3-4-5-6-9-19-13-10-11(15)7-8-12(13)14(16,17)18;/h2,7-8,10H,1,3-6,9H2;/q-1;+1
InChIKeyOSYRTHIBLFWGQG-UHFFFAOYSA-N
XLogP1.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.17
LogP ≤ 51.01
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-fluoro-1-hex-5-enoxybenzene
CID 121012667
1-(5-fluoro-2-hept-6-enoxyphenyl)ethanone
CID 107007278
trifluoro-[4-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]boranuide
CID 103410551
potassium [2-(2-ethylsulfonylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 106726802
1-(5-fluoro-2-hept-6-enoxyphenyl)-N-methylethanamine
CID 107006250
trifluoro-(5-fluoro-2-hexoxyphenyl)boranuide
CID 63703027
1,3-bis(dec-9-enoxy)-2-phenylbenzene
CID 134837533
trifluoro-[5-fluoro-2-(4-methoxybutoxy)phenyl]boranuide
CID 104648215
potassium trifluoro-[4-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]boranuide
CID 106705328
potassium trifluoro-(2-octoxyphenyl)boranuide
CID 63676201
2-bromo-1,3-bis(hex-5-enoxy)benzene
CID 10882709
5-fluoro-2-pent-4-enoxybenzenesulfonyl chloride
CID 82910510

Frequently Asked Questions

What is the IUPAC name of potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide?
The IUPAC name of potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide (CID 107007667) is potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide.
What is the SMILES notation for potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide?
The canonical SMILES for potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide is C=CCCCCCOc1cc(F)ccc1[B-](F)(F)F.[K+].
What is the InChIKey of potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide?
The InChIKey is OSYRTHIBLFWGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BF4O.K/c1-2-3-4-5-6-9-19-13-10-11(15)7-8-12(13)14(16,17)18;/h2,7-8,10H,1,3-6,9H2;/q-1;+1.
What are the key properties of potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide?
potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide has a molecular weight of 314.17 g/mol, XLogP of 1.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(4-fluoro-2-hept-6-enoxyphenyl)boranuide is sourced from PubChem (CID 107007667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).