(2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane

C21H15BF6O3 — CID 177045574

IUPAC(2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane
SMILESCOc1cc(F)cc(F)c1B(c1cc(F)cc(F)c1OC)c1cc(F)cc(F)c1OC
InChIInChI=1S/C21H15BF6O3/c1-29-18-9-12(25)6-15(26)19(18)22(13-4-10(23)7-16(27)20(13)30-2)14-5-11(24)8-17(28)21(14)31-3/h4-9H,1-3H3
InChIKeyOEBLGMIZUJXUEO-UHFFFAOYSA-N
MW440.15 g/mol
LogP3.06
Rot. Bonds6

About (2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane

(2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane (PubChem CID 177045574) has the molecular formula C21H15BF6O3 and a molecular weight of 440.15 g/mol. Its IUPAC name is (2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane.

Molecular Properties

Compound Name(2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane
PubChem CID177045574
Molecular FormulaC21H15BF6O3
Molecular Weight440.15 g/mol
Exact Mass440.10
IUPAC Name(2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane
SMILESCOc1cc(F)cc(F)c1B(c1cc(F)cc(F)c1OC)c1cc(F)cc(F)c1OC
InChIInChI=1S/C21H15BF6O3/c1-29-18-9-12(25)6-15(26)19(18)22(13-4-10(23)7-16(27)20(13)30-2)14-5-11(24)8-17(28)21(14)31-3/h4-9H,1-3H3
InChIKeyOEBLGMIZUJXUEO-UHFFFAOYSA-N
XLogP3.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.15
LogP ≤ 53.06
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

(3,5-difluoro-2-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)borane
CID 177045820
(2,4,6-trifluoro-3-methoxyphenyl)-bis(2,3,5-trifluorophenyl)borane
CID 177045558
(3,5-difluoro-2-methoxyphenyl) methanesulfonate
CID 88541935
CID 21097811
CID 21097811
1,5-difluoro-2-methoxy-3-propylbenzene
CID 176962400
1,5-difluoro-2-methoxy-3-(methylsulfanylmethyl)benzene
CID 146626733
1-tert-butyl-3,5-difluoro-2-methoxybenzene
CID 59343854
1-(3,5-difluoro-2-methoxyphenyl)propan-2-one
CID 83880632
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949
1-fluoro-2,3,5-trimethoxybenzene
CID 151392889
1-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 84661308
1,2-difluoro-4,5-dimethoxybenzene
CID 853175

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane?
The IUPAC name of (2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane (CID 177045574) is (2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane.
What is the SMILES notation for (2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane?
The canonical SMILES for (2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane is COc1cc(F)cc(F)c1B(c1cc(F)cc(F)c1OC)c1cc(F)cc(F)c1OC.
What is the InChIKey of (2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane?
The InChIKey is OEBLGMIZUJXUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BF6O3/c1-29-18-9-12(25)6-15(26)19(18)22(13-4-10(23)7-16(27)20(13)30-2)14-5-11(24)8-17(28)21(14)31-3/h4-9H,1-3H3.
What are the key properties of (2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane?
(2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane has a molecular weight of 440.15 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-6-methoxyphenyl)-bis(3,5-difluoro-2-methoxyphenyl)borane is sourced from PubChem (CID 177045574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).