[4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid

C10H16BFO3S — CID 175028933

IUPAC[4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid
SMILESCCCCC(OC)c1scc(B(O)O)c1F
InChIInChI=1S/C10H16BFO3S/c1-3-4-5-8(15-2)10-9(12)7(6-16-10)11(13)14/h6,8,13-14H,3-5H2,1-2H3
InChIKeyXKSUAZRDTGFIIS-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.44
Rot. Bonds6

About [4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid

[4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid (PubChem CID 175028933) has the molecular formula C10H16BFO3S and a molecular weight of 246.11 g/mol. Its IUPAC name is [4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid.

Molecular Properties

Compound Name[4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid
PubChem CID175028933
Molecular FormulaC10H16BFO3S
Molecular Weight246.11 g/mol
Exact Mass246.09
IUPAC Name[4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid
SMILESCCCCC(OC)c1scc(B(O)O)c1F
InChIInChI=1S/C10H16BFO3S/c1-3-4-5-8(15-2)10-9(12)7(6-16-10)11(13)14/h6,8,13-14H,3-5H2,1-2H3
InChIKeyXKSUAZRDTGFIIS-UHFFFAOYSA-N
XLogP1.44
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(1-methoxypentyl)phenyl]boronic acid
CID 175171768
[4-[4-(1-methoxypentyl)phenyl]phenyl]boronic acid
CID 175171788
[2,3-difluoro-4-(2-methylhexoxy)phenyl]boronic acid
CID 21477966
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
1-(2-bromoethynyl)-2-[(1S)-1-methoxypentyl]benzene
CID 132508101
[2-[[(1-methoxy-1-oxohexan-2-yl)amino]methyl]thiophen-3-yl]boronic acid
CID 71126532
1-(4-methoxythiophen-2-yl)pentan-1-ol
CID 115783270
1-fluoro-1-methoxypentane
CID 138657313
4-[(1R)-1-methoxypentyl]benzenesulfonyl chloride
CID 124528664
4-[(1S)-1-methoxypentyl]benzenesulfonyl chloride
CID 124528663
1-hydroxy-3-(1-methoxypentyl)-2-methyl-2H-pyridine
CID 121467199
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid?
The IUPAC name of [4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid (CID 175028933) is [4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid.
What is the SMILES notation for [4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid?
The canonical SMILES for [4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid is CCCCC(OC)c1scc(B(O)O)c1F.
What is the InChIKey of [4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid?
The InChIKey is XKSUAZRDTGFIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BFO3S/c1-3-4-5-8(15-2)10-9(12)7(6-16-10)11(13)14/h6,8,13-14H,3-5H2,1-2H3.
What are the key properties of [4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid?
[4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid has a molecular weight of 246.11 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-5-(1-methoxypentyl)thiophen-3-yl]boronic acid is sourced from PubChem (CID 175028933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).