1-(4-fluorophenyl)ethenyl-hexoxyborinic acid

C14H20BFO2 — CID 175798712

IUPAC1-(4-fluorophenyl)ethenyl-hexoxyborinic acid
SMILESC=C(B(O)OCCCCCC)c1ccc(F)cc1
InChIInChI=1S/C14H20BFO2/c1-3-4-5-6-11-18-15(17)12(2)13-7-9-14(16)10-8-13/h7-10,17H,2-6,11H2,1H3
InChIKeyNSWWBRHVVNDTGK-UHFFFAOYSA-N
MW250.12 g/mol
LogP3.46
Rot. Bonds8

About 1-(4-fluorophenyl)ethenyl-hexoxyborinic acid

1-(4-fluorophenyl)ethenyl-hexoxyborinic acid (PubChem CID 175798712) has the molecular formula C14H20BFO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethenyl-hexoxyborinic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)ethenyl-hexoxyborinic acid
PubChem CID175798712
Molecular FormulaC14H20BFO2
Molecular Weight250.12 g/mol
Exact Mass250.15
IUPAC Name1-(4-fluorophenyl)ethenyl-hexoxyborinic acid
SMILESC=C(B(O)OCCCCCC)c1ccc(F)cc1
InChIInChI=1S/C14H20BFO2/c1-3-4-5-6-11-18-15(17)12(2)13-7-9-14(16)10-8-13/h7-10,17H,2-6,11H2,1H3
InChIKeyNSWWBRHVVNDTGK-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-(4-fluorophenyl)-4-heptoxybutan-1-one
CID 43793694
di(nonoxy)borinic acid
CID 150530087
nonadecoxyboronic acid
CID 154133434
4-fluoro-N-(2-heptoxyethyl)aniline
CID 63505615
undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 91711919
fluorobenzene;1-hexoxyhexane
CID 174664464
azane;hexoxyboronic acid
CID 174594578
copper;hexoxyboronic acid
CID 174901938
heptadecyl 2-[(4-fluorobenzoyl)amino]propanoate
CID 6424542
1,4-difluorobenzene;heptan-1-amine
CID 143706023
4-fluoro-N-(4-fluorophenyl)-N-hexadec-1-en-2-ylaniline
CID 102369571
1-heptoxy-4-[4-(4-prop-1-en-2-ylphenyl)phenyl]benzene
CID 58428325

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethenyl-hexoxyborinic acid?
The IUPAC name of 1-(4-fluorophenyl)ethenyl-hexoxyborinic acid (CID 175798712) is 1-(4-fluorophenyl)ethenyl-hexoxyborinic acid.
What is the SMILES notation for 1-(4-fluorophenyl)ethenyl-hexoxyborinic acid?
The canonical SMILES for 1-(4-fluorophenyl)ethenyl-hexoxyborinic acid is C=C(B(O)OCCCCCC)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)ethenyl-hexoxyborinic acid?
The InChIKey is NSWWBRHVVNDTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BFO2/c1-3-4-5-6-11-18-15(17)12(2)13-7-9-14(16)10-8-13/h7-10,17H,2-6,11H2,1H3.
What are the key properties of 1-(4-fluorophenyl)ethenyl-hexoxyborinic acid?
1-(4-fluorophenyl)ethenyl-hexoxyborinic acid has a molecular weight of 250.12 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)ethenyl-hexoxyborinic acid is sourced from PubChem (CID 175798712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).