(1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid

C16H15BF2O3 — CID 22045108

IUPAC(1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid
SMILESCCCc1ccc2c(c1F)C(OB(O)O)c1c(F)cccc1-2
InChIInChI=1S/C16H15BF2O3/c1-2-4-9-7-8-11-10-5-3-6-12(18)13(10)16(22-17(20)21)14(11)15(9)19/h3,5-8,16,20-21H,2,4H2,1H3
InChIKeyYCDNUCAGFUELQL-UHFFFAOYSA-N
MW304.10 g/mol
LogP2.97
Rot. Bonds4

About (1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid

(1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid (PubChem CID 22045108) has the molecular formula C16H15BF2O3 and a molecular weight of 304.10 g/mol. Its IUPAC name is (1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid.

Molecular Properties

Compound Name(1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid
PubChem CID22045108
Molecular FormulaC16H15BF2O3
Molecular Weight304.10 g/mol
Exact Mass304.11
IUPAC Name(1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid
SMILESCCCc1ccc2c(c1F)C(OB(O)O)c1c(F)cccc1-2
InChIInChI=1S/C16H15BF2O3/c1-2-4-9-7-8-11-10-5-3-6-12(18)13(10)16(22-17(20)21)14(11)15(9)19/h3,5-8,16,20-21H,2,4H2,1H3
InChIKeyYCDNUCAGFUELQL-UHFFFAOYSA-N
XLogP2.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493168
2-[4-(Hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492892
2,4-Dimethyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493040
2-Ethyl-4-(hydroxymethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59493094
2-[(E)-prop-1-enyl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492601
2-[2-(Hydroxymethyl)phenyl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492727
2-Ethyl-9-(trifluoromethyl)fluoren-9-ol
CID 59492785
2-(4-Methylphenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492810
2-(2-Hydroxyethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492817
2-[(E)-2-phenylethenyl]-9-(trifluoromethyl)fluoren-9-ol
CID 59492939
2-(2-Methylphenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492948
2-Benzyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493042

Frequently Asked Questions

What is the IUPAC name of (1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid?
The IUPAC name of (1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid (CID 22045108) is (1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid.
What is the SMILES notation for (1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid?
The canonical SMILES for (1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid is CCCc1ccc2c(c1F)C(OB(O)O)c1c(F)cccc1-2.
What is the InChIKey of (1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid?
The InChIKey is YCDNUCAGFUELQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BF2O3/c1-2-4-9-7-8-11-10-5-3-6-12(18)13(10)16(22-17(20)21)14(11)15(9)19/h3,5-8,16,20-21H,2,4H2,1H3.
What are the key properties of (1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid?
(1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid has a molecular weight of 304.10 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,8-difluoro-2-propyl-9H-fluoren-9-yl)oxyboronic acid is sourced from PubChem (CID 22045108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).