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

C19H7BF10 — CID 177045807

IUPAC(2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane
SMILESCc1cc(B(c2c(F)c(F)cc(F)c2F)c2c(F)c(F)cc(F)c2F)c(F)cc1F
InChIInChI=1S/C19H7BF10/c1-6-2-7(9(22)3-8(6)21)20(14-16(27)10(23)4-11(24)17(14)28)15-18(29)12(25)5-13(26)19(15)30/h2-5H,1H3
InChIKeyBHPYTNPBFKCBNS-UHFFFAOYSA-N
MW436.06 g/mol
LogP3.90
Rot. Bonds3

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

(2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane (PubChem CID 177045807) has the molecular formula C19H7BF10 and a molecular weight of 436.06 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane
PubChem CID177045807
Molecular FormulaC19H7BF10
Molecular Weight436.06 g/mol
Exact Mass436.05
IUPAC Name(2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane
SMILESCc1cc(B(c2c(F)c(F)cc(F)c2F)c2c(F)c(F)cc(F)c2F)c(F)cc1F
InChIInChI=1S/C19H7BF10/c1-6-2-7(9(22)3-8(6)21)20(14-16(27)10(23)4-11(24)17(14)28)15-18(29)12(25)5-13(26)19(15)30/h2-5H,1H3
InChIKeyBHPYTNPBFKCBNS-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.06
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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)borane
CID 177045857
(3,5-dimethylphenyl)-(2,3,4,5,6-pentafluorophenyl)-(2,3,4,6-tetrafluorophenyl)borane
CID 145237397
ethane;1,2,4,5-tetrafluoro-3-methylbenzene
CID 143259717
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
bis(2,3,6-trifluoro-4-methylphenyl)-(2,4,6-trifluoro-3-methylphenyl)borane
CID 177045825
(2,6-difluoro-3-methylphenyl)-bis(2,4,6-trifluoro-3-methylphenyl)borane
CID 177045505
1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725175
tris[2,3,4,6-tetrafluoro-5-(2,3,4,6-tetrafluorophenyl)phenyl]borane
CID 22500998
(3,5-difluoro-2-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)borane
CID 177045820
ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
CID 165395755
2-chloro-5-fluoro-4-methylbenzenethiol
CID 91874485
(2-ethyl-5-fluoro-4-methylphenyl)-difluoroborane
CID 161032343

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane (CID 177045807) is (2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane is Cc1cc(B(c2c(F)c(F)cc(F)c2F)c2c(F)c(F)cc(F)c2F)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane?
The InChIKey is BHPYTNPBFKCBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H7BF10/c1-6-2-7(9(22)3-8(6)21)20(14-16(27)10(23)4-11(24)17(14)28)15-18(29)12(25)5-13(26)19(15)30/h2-5H,1H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane?
(2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane has a molecular weight of 436.06 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-bis(2,3,5,6-tetrafluorophenyl)borane is sourced from PubChem (CID 177045807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).