(7,9,9-trimethylfluoren-2-yl)boronic acid

C16H17BO2 — CID 125469672

IUPAC(7,9,9-trimethylfluoren-2-yl)boronic acid
SMILESCc1ccc2c(c1)C(C)(C)c1cc(B(O)O)ccc1-2
InChIInChI=1S/C16H17BO2/c1-10-4-6-12-13-7-5-11(17(18)19)9-15(13)16(2,3)14(12)8-10/h4-9,18-19H,1-3H3
InChIKeyIDNYCCRVSZJLSB-UHFFFAOYSA-N
MW252.12 g/mol
LogP1.98
Rot. Bonds1

About (7,9,9-trimethylfluoren-2-yl)boronic acid

(7,9,9-trimethylfluoren-2-yl)boronic acid (PubChem CID 125469672) has the molecular formula C16H17BO2 and a molecular weight of 252.12 g/mol. Its IUPAC name is (7,9,9-trimethylfluoren-2-yl)boronic acid.

Molecular Properties

Compound Name(7,9,9-trimethylfluoren-2-yl)boronic acid
PubChem CID125469672
Molecular FormulaC16H17BO2
Molecular Weight252.12 g/mol
Exact Mass252.13
IUPAC Name(7,9,9-trimethylfluoren-2-yl)boronic acid
SMILESCc1ccc2c(c1)C(C)(C)c1cc(B(O)O)ccc1-2
InChIInChI=1S/C16H17BO2/c1-10-4-6-12-13-7-5-11(17(18)19)9-15(13)16(2,3)14(12)8-10/h4-9,18-19H,1-3H3
InChIKeyIDNYCCRVSZJLSB-UHFFFAOYSA-N
XLogP1.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 51.98
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

(7-borono-9,9-dimethylfluoren-2-yl)boronic acid
CID 24820467
2,7,9,9-tetramethylfluorene
CID 22951928
(5,5-dimethylindeno[1,2-c]pyridin-7-yl)boronic acid
CID 142724289
2,6,9,9-tetramethylfluorene
CID 23527438
(7-borono-9,9-difluorofluoren-2-yl)boronic acid
CID 140844524
[9,9-dimethyl-7-(4-tritylphenyl)fluoren-2-yl]boronic acid
CID 142699767
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
[4-(9,9-dimethylfluoren-2-yl)phenyl]boronic acid
CID 59691054
2-ethyl-7,9,9-trimethylfluorene
CID 59167125
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
(6-methylnaphthalen-2-yl)boronic acid
CID 55276688
1,1,6-trimethyl-2,3-dimethylideneindene
CID 145331674

Frequently Asked Questions

What is the IUPAC name of (7,9,9-trimethylfluoren-2-yl)boronic acid?
The IUPAC name of (7,9,9-trimethylfluoren-2-yl)boronic acid (CID 125469672) is (7,9,9-trimethylfluoren-2-yl)boronic acid.
What is the SMILES notation for (7,9,9-trimethylfluoren-2-yl)boronic acid?
The canonical SMILES for (7,9,9-trimethylfluoren-2-yl)boronic acid is Cc1ccc2c(c1)C(C)(C)c1cc(B(O)O)ccc1-2.
What is the InChIKey of (7,9,9-trimethylfluoren-2-yl)boronic acid?
The InChIKey is IDNYCCRVSZJLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BO2/c1-10-4-6-12-13-7-5-11(17(18)19)9-15(13)16(2,3)14(12)8-10/h4-9,18-19H,1-3H3.
What are the key properties of (7,9,9-trimethylfluoren-2-yl)boronic acid?
(7,9,9-trimethylfluoren-2-yl)boronic acid has a molecular weight of 252.12 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7,9,9-trimethylfluoren-2-yl)boronic acid is sourced from PubChem (CID 125469672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).