(2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide

C15H24BF2O3- — CID 122208545

IUPAC(2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide
SMILESCC(C)O[B-](OC(C)C)(OC(C)C)c1ccc(F)cc1F
InChIInChI=1S/C15H24BF2O3/c1-10(2)19-16(20-11(3)4,21-12(5)6)14-8-7-13(17)9-15(14)18/h7-12H,1-6H3/q-1
InChIKeyFTRNABZGFITRTL-UHFFFAOYSA-N
MW301.16 g/mol
LogP3.39
Rot. Bonds7

About (2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide

(2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide (PubChem CID 122208545) has the molecular formula C15H24BF2O3- and a molecular weight of 301.16 g/mol. Its IUPAC name is (2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide.

Molecular Properties

Compound Name(2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide
PubChem CID122208545
Molecular FormulaC15H24BF2O3-
Molecular Weight301.16 g/mol
Exact Mass301.18
IUPAC Name(2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide
SMILESCC(C)O[B-](OC(C)C)(OC(C)C)c1ccc(F)cc1F
InChIInChI=1S/C15H24BF2O3/c1-10(2)19-16(20-11(3)4,21-12(5)6)14-8-7-13(17)9-15(14)18/h7-12H,1-6H3/q-1
InChIKeyFTRNABZGFITRTL-UHFFFAOYSA-N
XLogP3.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide 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

trifluoro-(2-fluoro-4-propan-2-yloxyphenyl)boranuide
CID 65202687
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
(2,4-difluorophenyl) propanoate
CID 18525986
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
CID 121459140
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
(2S)-2-(2,4-difluorophenoxy)propanoic acid
CID 7268787
2,4-difluoro-1-(2-propan-2-ylphenoxy)benzene
CID 54486908
2-(2,4-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593349
1,4-difluoro-2-(propan-2-yloxymethyl)benzene
CID 58479340
2,4-difluoroaniline;propan-2-yl formate
CID 174299671

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide?
The IUPAC name of (2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide (CID 122208545) is (2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide.
What is the SMILES notation for (2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide?
The canonical SMILES for (2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide is CC(C)O[B-](OC(C)C)(OC(C)C)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide?
The InChIKey is FTRNABZGFITRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BF2O3/c1-10(2)19-16(20-11(3)4,21-12(5)6)14-8-7-13(17)9-15(14)18/h7-12H,1-6H3/q-1.
What are the key properties of (2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide?
(2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide has a molecular weight of 301.16 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-tri(propan-2-yloxy)boranuide is sourced from PubChem (CID 122208545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).