[(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid

C18H19BO2 — CID 125469948

IUPAC[(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid
SMILESOB(O)[C@H]1CCCCC12c1ccccc1-c1ccccc12
InChIInChI=1S/C18H19BO2/c20-19(21)17-11-5-6-12-18(17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-4,7-10,17,20-21H,5-6,11-12H2/t17-/m0/s1
InChIKeyYRBBIZBTHDTKMR-KRWDZBQOSA-N
MW278.16 g/mol
LogP3.37
Rot. Bonds1

About [(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid

[(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid (PubChem CID 125469948) has the molecular formula C18H19BO2 and a molecular weight of 278.16 g/mol. Its IUPAC name is [(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid.

Molecular Properties

Compound Name[(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid
PubChem CID125469948
Molecular FormulaC18H19BO2
Molecular Weight278.16 g/mol
Exact Mass278.15
IUPAC Name[(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid
SMILESOB(O)[C@H]1CCCCC12c1ccccc1-c1ccccc12
InChIInChI=1S/C18H19BO2/c20-19(21)17-11-5-6-12-18(17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-4,7-10,17,20-21H,5-6,11-12H2/t17-/m0/s1
InChIKeyYRBBIZBTHDTKMR-KRWDZBQOSA-N
XLogP3.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromospiro[cyclohexane-1,9'-fluorene]
CID 69346071
(9,9-dicyclopentylfluoren-2-yl)boronic acid
CID 86036873
spiro[bicyclo[3.3.1]nonane-9,9'-fluorene]
CID 123717351
9-cyclopentyl-9-phenylfluorene
CID 59853281
pentacyclo[6.6.6.01,19.02,7.09,14]icosa-2,4,6,9,11,13-hexaene
CID 167615076
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 611743
1-[2-(2-fluorophenyl)phenyl]cyclopentan-1-ol
CID 19036896
(1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol
CID 7055569
2-ethenylspiro[cyclopropane-1,9'-fluorene]
CID 13264667
(3aR,7aS)-7a-phenyl-3,3a,4,5,6,7-hexahydro-2-benzofuran-1-one
CID 58954920
dicyclohexyl-[9-[4-(9-dicyclohexylphosphanylfluoren-9-yl)butyl]fluoren-9-yl]phosphane
CID 102393553

Frequently Asked Questions

What is the IUPAC name of [(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid?
The IUPAC name of [(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid (CID 125469948) is [(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid.
What is the SMILES notation for [(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid?
The canonical SMILES for [(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid is OB(O)[C@H]1CCCCC12c1ccccc1-c1ccccc12.
What is the InChIKey of [(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid?
The InChIKey is YRBBIZBTHDTKMR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19BO2/c20-19(21)17-11-5-6-12-18(17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18/h1-4,7-10,17,20-21H,5-6,11-12H2/t17-/m0/s1.
What are the key properties of [(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid?
[(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid has a molecular weight of 278.16 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-spiro[cyclohexane-2,9'-fluorene]-1-yl]boronic acid is sourced from PubChem (CID 125469948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).