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

C19H7BF10O — CID 177045857

IUPAC(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane
SMILESCOc1cc(F)c(B(c2c(F)c(F)cc(F)c2F)c2c(F)c(F)cc(F)c2F)c(F)c1
InChIInChI=1S/C19H7BF10O/c1-31-6-2-7(21)13(8(22)3-6)20(14-16(27)9(23)4-10(24)17(14)28)15-18(29)11(25)5-12(26)19(15)30/h2-5H,1H3
InChIKeyPSOIFPVTHMMSAD-UHFFFAOYSA-N
MW452.06 g/mol
LogP3.60
Rot. Bonds4

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

(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane (PubChem CID 177045857) has the molecular formula C19H7BF10O and a molecular weight of 452.06 g/mol. Its IUPAC name is (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane.

Molecular Properties

Compound Name(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane
PubChem CID177045857
Molecular FormulaC19H7BF10O
Molecular Weight452.06 g/mol
Exact Mass452.04
IUPAC Name(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane
SMILESCOc1cc(F)c(B(c2c(F)c(F)cc(F)c2F)c2c(F)c(F)cc(F)c2F)c(F)c1
InChIInChI=1S/C19H7BF10O/c1-31-6-2-7(21)13(8(22)3-6)20(14-16(27)9(23)4-10(24)17(14)28)15-18(29)11(25)5-12(26)19(15)30/h2-5H,1H3
InChIKeyPSOIFPVTHMMSAD-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.06
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane
CID 177045953
1-ethyl-2,3-difluoro-5-methoxybenzene
CID 149025981
(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187510
(2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane
CID 177045807
(2,4,6-trifluoro-3-methoxyphenyl)-bis(2,3,5-trifluorophenyl)borane
CID 177045558
N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84777076
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239
1-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
potassium (2,6-difluoro-4-methoxyphenyl)-trifluoroboranuide
CID 63675286
1-fluoro-2,3,5-trimethoxybenzene
CID 151392889
(E)-N-[(E)-(2,6-difluoro-4-methoxyphenyl)methylideneamino]-1-(3,4,5-trifluorophenyl)methanimine
CID 19368504
1,3-difluoro-5-methoxy-2-propylbenzene
CID 89112657

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane?
The IUPAC name of (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane (CID 177045857) is (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane.
What is the SMILES notation for (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane?
The canonical SMILES for (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane is COc1cc(F)c(B(c2c(F)c(F)cc(F)c2F)c2c(F)c(F)cc(F)c2F)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane?
The InChIKey is PSOIFPVTHMMSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H7BF10O/c1-31-6-2-7(21)13(8(22)3-6)20(14-16(27)9(23)4-10(24)17(14)28)15-18(29)11(25)5-12(26)19(15)30/h2-5H,1H3.
What are the key properties of (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane?
(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane has a molecular weight of 452.06 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane is sourced from PubChem (CID 177045857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).