(3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid

C9H10BFO3 — CID 171781999

IUPAC(3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid
SMILESOB(O)c1c(O)ccc(C2CC2)c1F
InChIInChI=1S/C9H10BFO3/c11-9-6(5-1-2-5)3-4-7(12)8(9)10(13)14/h3-5,12-14H,1-2H2
InChIKeyDWMMXERKUKSLMD-UHFFFAOYSA-N
MW195.99 g/mol
LogP0.09
Rot. Bonds2

About (3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid

(3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid (PubChem CID 171781999) has the molecular formula C9H10BFO3 and a molecular weight of 195.99 g/mol. Its IUPAC name is (3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid.

Molecular Properties

Compound Name(3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid
PubChem CID171781999
Molecular FormulaC9H10BFO3
Molecular Weight195.99 g/mol
Exact Mass196.07
IUPAC Name(3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid
SMILESOB(O)c1c(O)ccc(C2CC2)c1F
InChIInChI=1S/C9H10BFO3/c11-9-6(5-1-2-5)3-4-7(12)8(9)10(13)14/h3-5,12-14H,1-2H2
InChIKeyDWMMXERKUKSLMD-UHFFFAOYSA-N
XLogP0.09
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.99
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-cyclopropylcyclohexyl)cyclohexyl]-2,3-difluorophenol
CID 164913639
4-cyclohexyl-2,3-difluorophenol
CID 134218235
[2-fluoro-6-hydroxy-3-(trifluoromethyl)phenyl]boronic acid
CID 156768601
4-cyclopropyl-3-fluorobenzene-1,2-diamine
CID 174232109
2,3-difluoro-4-[4-(2-hydroxypropyl)cyclohexyl]phenol
CID 176902887
4-cyclopropyl-3-fluorophenol
CID 83131228
3-cyclopropyl-6-(2,3-difluorophenyl)-2-fluorophenol
CID 134454097
8-cyclopropyl-5,6-difluoronaphthalen-1-ol
CID 175961016
1-(4-cyclopropylcyclohexyl)-2,3-difluoro-4-methylbenzene
CID 158288889
4-[[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]-2,3-difluorophenoxy]methyl]-2,3-difluorophenol
CID 122643430
(3-cyclopropyl-2-methylphenyl)boronic acid
CID 124706850
(5-cyclopropyl-2,4-difluorophenyl)boronic acid
CID 164891697

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid?
The IUPAC name of (3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid (CID 171781999) is (3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid.
What is the SMILES notation for (3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid?
The canonical SMILES for (3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid is OB(O)c1c(O)ccc(C2CC2)c1F.
What is the InChIKey of (3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid?
The InChIKey is DWMMXERKUKSLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BFO3/c11-9-6(5-1-2-5)3-4-7(12)8(9)10(13)14/h3-5,12-14H,1-2H2.
What are the key properties of (3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid?
(3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid has a molecular weight of 195.99 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-2-fluoro-6-hydroxyphenyl)boronic acid is sourced from PubChem (CID 171781999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).