(2,3-diethyl-9H-fluoren-1-yl)boronic acid

C17H19BO2 — CID 141433913

IUPAC(2,3-diethyl-9H-fluoren-1-yl)boronic acid
SMILESCCc1cc2c(c(B(O)O)c1CC)Cc1ccccc1-2
InChIInChI=1S/C17H19BO2/c1-3-11-9-15-14-8-6-5-7-12(14)10-16(15)17(18(19)20)13(11)4-2/h5-9,19-20H,3-4,10H2,1-2H3
InChIKeyDBWCHQATGQTRTM-UHFFFAOYSA-N
MW266.15 g/mol
LogP2.06
Rot. Bonds3

About (2,3-diethyl-9H-fluoren-1-yl)boronic acid

(2,3-diethyl-9H-fluoren-1-yl)boronic acid (PubChem CID 141433913) has the molecular formula C17H19BO2 and a molecular weight of 266.15 g/mol. Its IUPAC name is (2,3-diethyl-9H-fluoren-1-yl)boronic acid.

Molecular Properties

Compound Name(2,3-diethyl-9H-fluoren-1-yl)boronic acid
PubChem CID141433913
Molecular FormulaC17H19BO2
Molecular Weight266.15 g/mol
Exact Mass266.15
IUPAC Name(2,3-diethyl-9H-fluoren-1-yl)boronic acid
SMILESCCc1cc2c(c(B(O)O)c1CC)Cc1ccccc1-2
InChIInChI=1S/C17H19BO2/c1-3-11-9-15-14-8-6-5-7-12(14)10-16(15)17(18(19)20)13(11)4-2/h5-9,19-20H,3-4,10H2,1-2H3
InChIKeyDBWCHQATGQTRTM-UHFFFAOYSA-N
XLogP2.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.06
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

N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide
CID 151617636
1,2-diethyl-9H-fluorene
CID 23440471
2-(1-ethyl-9H-fluoren-2-yl)acetic acid
CID 158650084
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
1,2,3-tributyl-9H-fluorene
CID 90984374
2,3-dibutyl-9H-fluoren-1-amine
CID 151540812
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
1,2-diphenyl-3-propyl-9H-fluorene
CID 174971839
1-ethenyl-2-ethyl-9H-fluorene
CID 158586423
butane-1,4-diol;9H-fluorene
CID 158933795
2-ethyl-4-[1-(3-ethyl-4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 141135954
9H-fluorene;propanoic acid
CID 67831567

Frequently Asked Questions

What is the IUPAC name of (2,3-diethyl-9H-fluoren-1-yl)boronic acid?
The IUPAC name of (2,3-diethyl-9H-fluoren-1-yl)boronic acid (CID 141433913) is (2,3-diethyl-9H-fluoren-1-yl)boronic acid.
What is the SMILES notation for (2,3-diethyl-9H-fluoren-1-yl)boronic acid?
The canonical SMILES for (2,3-diethyl-9H-fluoren-1-yl)boronic acid is CCc1cc2c(c(B(O)O)c1CC)Cc1ccccc1-2.
What is the InChIKey of (2,3-diethyl-9H-fluoren-1-yl)boronic acid?
The InChIKey is DBWCHQATGQTRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BO2/c1-3-11-9-15-14-8-6-5-7-12(14)10-16(15)17(18(19)20)13(11)4-2/h5-9,19-20H,3-4,10H2,1-2H3.
What are the key properties of (2,3-diethyl-9H-fluoren-1-yl)boronic acid?
(2,3-diethyl-9H-fluoren-1-yl)boronic acid has a molecular weight of 266.15 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethyl-9H-fluoren-1-yl)boronic acid is sourced from PubChem (CID 141433913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).