CID 153336553

C13H15B4FO3 — CID 153336553

IUPAC—
SMILES[B]C([B])([B])Oc1cccc(F)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H15B4FO3/c1-11(2)12(3,4)21-17(20-11)10-8(18)6-5-7-9(10)19-13(14,15)16/h5-7H,1-4H3
InChIKeyZLOLCFYPJJZXBI-UHFFFAOYSA-N
MW281.51 g/mol
LogP0.62
Rot. Bonds3

About CID 153336553

CID 153336553 (PubChem CID 153336553) has the molecular formula C13H15B4FO3 and a molecular weight of 281.51 g/mol.

Molecular Properties

Compound NameCID 153336553
PubChem CID153336553
Molecular FormulaC13H15B4FO3
Molecular Weight281.51 g/mol
Exact Mass282.14
IUPAC Name—
SMILES[B]C([B])([B])Oc1cccc(F)c1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C13H15B4FO3/c1-11(2)12(3,4)21-17(20-11)10-8(18)6-5-7-9(10)19-13(14,15)16/h5-7H,1-4H3
InChIKeyZLOLCFYPJJZXBI-UHFFFAOYSA-N
XLogP0.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.51
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxy-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156594171
2-(2-butoxy-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164890832
tris[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]bismuthane
CID 138972801
tert-butyl 4-[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butanoate
CID 158191305
tert-butyl N-[3-[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]carbamate
CID 163359286
[3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl carbamate
CID 175348073
[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-trimethylsilane
CID 167737077
2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138987087
4,4,5,5-tetramethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
CID 2760602
methyl 2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 67086691
2-[2-tert-butyl-4,6-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 172522397
N-[[2-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 75487258

Frequently Asked Questions

What is the IUPAC name of CID 153336553?
The IUPAC name of CID 153336553 (CID 153336553) is not available.
What is the SMILES notation for CID 153336553?
The canonical SMILES for CID 153336553 is [B]C([B])([B])Oc1cccc(F)c1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of CID 153336553?
The InChIKey is ZLOLCFYPJJZXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15B4FO3/c1-11(2)12(3,4)21-17(20-11)10-8(18)6-5-7-9(10)19-13(14,15)16/h5-7H,1-4H3.
What are the key properties of CID 153336553?
CID 153336553 has a molecular weight of 281.51 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153336553 is sourced from PubChem (CID 153336553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).