(7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid

C19H20BBrO2 — CID 169023206

IUPAC(7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)-c1ccc(Br)cc1C2C1CCCCC1
InChIInChI=1S/C19H20BBrO2/c21-14-7-9-15-17-10-13(20(22)23)6-8-16(17)19(18(15)11-14)12-4-2-1-3-5-12/h6-12,19,22-23H,1-5H2
InChIKeyIDOCBXCYTMVSCQ-UHFFFAOYSA-N
MW371.08 g/mol
LogP3.82
Rot. Bonds2

About (7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid

(7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid (PubChem CID 169023206) has the molecular formula C19H20BBrO2 and a molecular weight of 371.08 g/mol. Its IUPAC name is (7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid.

Molecular Properties

Compound Name(7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid
PubChem CID169023206
Molecular FormulaC19H20BBrO2
Molecular Weight371.08 g/mol
Exact Mass370.07
IUPAC Name(7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)-c1ccc(Br)cc1C2C1CCCCC1
InChIInChI=1S/C19H20BBrO2/c21-14-7-9-15-17-10-13(20(22)23)6-8-16(17)19(18(15)11-14)12-4-2-1-3-5-12/h6-12,19,22-23H,1-5H2
InChIKeyIDOCBXCYTMVSCQ-UHFFFAOYSA-N
XLogP3.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.08
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid?
The IUPAC name of (7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid (CID 169023206) is (7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid.
What is the SMILES notation for (7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid?
The canonical SMILES for (7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid is OB(O)c1ccc2c(c1)-c1ccc(Br)cc1C2C1CCCCC1.
What is the InChIKey of (7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid?
The InChIKey is IDOCBXCYTMVSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BBrO2/c21-14-7-9-15-17-10-13(20(22)23)6-8-16(17)19(18(15)11-14)12-4-2-1-3-5-12/h6-12,19,22-23H,1-5H2.
What are the key properties of (7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid?
(7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid has a molecular weight of 371.08 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-9-cyclohexyl-9H-fluoren-3-yl)boronic acid is sourced from PubChem (CID 169023206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).