(3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane

C11H15BBrFO — CID 58436927

IUPAC(3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane
SMILESCB(C)c1cc(F)cc(Br)c1OC(C)C
InChIInChI=1S/C11H15BBrFO/c1-7(2)15-11-9(12(3)4)5-8(14)6-10(11)13/h5-7H,1-4H3
InChIKeyGCCLJVUVULNYDY-UHFFFAOYSA-N
MW272.95 g/mol
LogP3.34
Rot. Bonds3

About (3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane

(3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane (PubChem CID 58436927) has the molecular formula C11H15BBrFO and a molecular weight of 272.95 g/mol. Its IUPAC name is (3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane.

Molecular Properties

Compound Name(3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane
PubChem CID58436927
Molecular FormulaC11H15BBrFO
Molecular Weight272.95 g/mol
Exact Mass272.04
IUPAC Name(3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane
SMILESCB(C)c1cc(F)cc(Br)c1OC(C)C
InChIInChI=1S/C11H15BBrFO/c1-7(2)15-11-9(12(3)4)5-8(14)6-10(11)13/h5-7H,1-4H3
InChIKeyGCCLJVUVULNYDY-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.95
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dibromo-4-propan-2-yloxybenzoic acid
CID 67041563
3-bromo-2-(2,4-dimethylpentoxy)-5-fluoroaniline
CID 114200008
1-(3-bromo-5-fluoro-2-methoxyphenyl)ethanol
CID 84706860
(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine
CID 107741402
1-bromo-3,5-difluoro-2-[(2S)-pent-4-en-2-yl]oxybenzene
CID 118308830
1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 164895727
1-(5-bromo-3-fluoro-2-propan-2-yloxyphenyl)ethanone
CID 83904296
1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene
CID 155293778
1,3-dibromo-5-fluoro-2-(trifluoromethoxy)benzene
CID 118813366
1-(3-bromo-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83902061
5-fluoro-3-iodo-2-propan-2-yloxybenzoic acid
CID 100582842
1-bromo-2-fluoro-4-methoxy-3-propan-2-yloxybenzene
CID 125116564

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane?
The IUPAC name of (3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane (CID 58436927) is (3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane.
What is the SMILES notation for (3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane?
The canonical SMILES for (3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane is CB(C)c1cc(F)cc(Br)c1OC(C)C.
What is the InChIKey of (3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane?
The InChIKey is GCCLJVUVULNYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BBrFO/c1-7(2)15-11-9(12(3)4)5-8(14)6-10(11)13/h5-7H,1-4H3.
What are the key properties of (3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane?
(3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane has a molecular weight of 272.95 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane is sourced from PubChem (CID 58436927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).