[4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid

C10H10BFO4 — CID 174763005

IUPAC[4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid
SMILESO=C(Oc1ccc(B(O)O)c(F)c1)C1CC1
InChIInChI=1S/C10H10BFO4/c12-9-5-7(3-4-8(9)11(14)15)16-10(13)6-1-2-6/h3-6,14-15H,1-2H2
InChIKeyVRDDEUROTUGOII-UHFFFAOYSA-N
MW224.00 g/mol
LogP-0.18
Rot. Bonds3

About [4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid

[4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid (PubChem CID 174763005) has the molecular formula C10H10BFO4 and a molecular weight of 224.00 g/mol. Its IUPAC name is [4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid.

Molecular Properties

Compound Name[4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid
PubChem CID174763005
Molecular FormulaC10H10BFO4
Molecular Weight224.00 g/mol
Exact Mass224.07
IUPAC Name[4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid
SMILESO=C(Oc1ccc(B(O)O)c(F)c1)C1CC1
InChIInChI=1S/C10H10BFO4/c12-9-5-7(3-4-8(9)11(14)15)16-10(13)6-1-2-6/h3-6,14-15H,1-2H2
InChIKeyVRDDEUROTUGOII-UHFFFAOYSA-N
XLogP-0.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.00
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,4-difluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 161466235
[7-(cyclopropanecarbonyloxy)naphthalen-2-yl] cyclopropanecarboxylate
CID 21495442
[4-(difluoromethoxy)-3-fluorophenyl] 4-methylcyclohexane-1-carboxylate
CID 20591362
[6-(4-methylcyclohexanecarbonyl)oxynaphthalen-2-yl] 4-methylcyclohexane-1-carboxylate
CID 126692821
(4-cyano-3-fluorophenyl) 4-ethylcyclohexane-1-carboxylate
CID 50999313
pentakis((3-fluoro-4-sulfanylphenyl) 4-propylcyclohexane-1-carboxylate);pentahydrofluoride
CID 173376037
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
naphthalen-2-yl cyclopropanecarboxylate
CID 532295
(3-fluoro-4-propoxyphenyl) 4-ethylcyclohexane-1-carboxylate
CID 23391187
[4-(cyclopentylmethoxy)-2-fluorophenyl]boronic acid
CID 65203320
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenyl] 4-methylcyclohexane-1-carboxylate
CID 23534753

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid?
The IUPAC name of [4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid (CID 174763005) is [4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid.
What is the SMILES notation for [4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid?
The canonical SMILES for [4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid is O=C(Oc1ccc(B(O)O)c(F)c1)C1CC1.
What is the InChIKey of [4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid?
The InChIKey is VRDDEUROTUGOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BFO4/c12-9-5-7(3-4-8(9)11(14)15)16-10(13)6-1-2-6/h3-6,14-15H,1-2H2.
What are the key properties of [4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid?
[4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid has a molecular weight of 224.00 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropanecarbonyloxy)-2-fluorophenyl]boronic acid is sourced from PubChem (CID 174763005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).