difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline

C14H11BF7N — CID 87670514

IUPACdifluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline
SMILESCN(C)c1ccccc1.FB(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H11N.C6BF7/c1-9(2)8-6-4-3-5-7-8;8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h3-7H,1-2H3;
InChIKeyJWARJVJBLFETKJ-UHFFFAOYSA-N
MW337.05 g/mol
LogP3.77
Rot. Bonds2

About difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline

difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline (PubChem CID 87670514) has the molecular formula C14H11BF7N and a molecular weight of 337.05 g/mol. Its IUPAC name is difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline.

Molecular Properties

Compound Namedifluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline
PubChem CID87670514
Molecular FormulaC14H11BF7N
Molecular Weight337.05 g/mol
Exact Mass337.09
IUPAC Namedifluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline
SMILESCN(C)c1ccccc1.FB(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H11N.C6BF7/c1-9(2)8-6-4-3-5-7-8;8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h3-7H,1-2H3;
InChIKeyJWARJVJBLFETKJ-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.05
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline?
The IUPAC name of difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline (CID 87670514) is difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline.
What is the SMILES notation for difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline?
The canonical SMILES for difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline is CN(C)c1ccccc1.FB(F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline?
The InChIKey is JWARJVJBLFETKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C6BF7/c1-9(2)8-6-4-3-5-7-8;8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h3-7H,1-2H3;.
What are the key properties of difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline?
difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline has a molecular weight of 337.05 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline is sourced from PubChem (CID 87670514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).