boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene

C14H15BF5NO3 — CID 161264040

IUPACboric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene
SMILESCN(C)c1ccccc1.Fc1cc(F)c(F)c(F)c1F.OB(O)O
InChIInChI=1S/C8H11N.C6HF5.BH3O3/c1-9(2)8-6-4-3-5-7-8;7-2-1-3(8)5(10)6(11)4(2)9;2-1(3)4/h3-7H,1-2H3;1H;2-4H
InChIKeyVCXXLBULNSFKQS-UHFFFAOYSA-N
MW351.08 g/mol
LogP2.08
Rot. Bonds1

About boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene

boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene (PubChem CID 161264040) has the molecular formula C14H15BF5NO3 and a molecular weight of 351.08 g/mol. Its IUPAC name is boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene.

Molecular Properties

Compound Nameboric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene
PubChem CID161264040
Molecular FormulaC14H15BF5NO3
Molecular Weight351.08 g/mol
Exact Mass351.11
IUPAC Nameboric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene
SMILESCN(C)c1ccccc1.Fc1cc(F)c(F)c(F)c1F.OB(O)O
InChIInChI=1S/C8H11N.C6HF5.BH3O3/c1-9(2)8-6-4-3-5-7-8;7-2-1-3(8)5(10)6(11)4(2)9;2-1(3)4/h3-7H,1-2H3;1H;2-4H
InChIKeyVCXXLBULNSFKQS-UHFFFAOYSA-N
XLogP2.08
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Related Compounds

N,N-dimethylaniline;tetrakis((2,3,4,5,6-pentafluorophenoxy)boronic acid)
CID 172817578
bis(2,3,4,5,6-pentafluorophenoxy)borinic acid;N,N-dimethylaniline
CID 162232157
difluoro-(2,3,4,5,6-pentafluorophenyl)borane;N,N-dimethylaniline
CID 87670514
N,N-dimethylaniline;(2,3,4,5,6-pentafluorophenyl)aluminum(2+)
CID 172730033
N,N-dimethylaniline;methanol
CID 143205399
N,N-dimethylaniline
CID 70392672
boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium
CID 159111301
N,N-dimethylaniline;nickel
CID 158294400
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydron
CID 174471199
CID 69241188
CID 69241188

Frequently Asked Questions

What is the IUPAC name of boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene?
The IUPAC name of boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene (CID 161264040) is boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene.
What is the SMILES notation for boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene?
The canonical SMILES for boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene is CN(C)c1ccccc1.Fc1cc(F)c(F)c(F)c1F.OB(O)O.
What is the InChIKey of boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene?
The InChIKey is VCXXLBULNSFKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C6HF5.BH3O3/c1-9(2)8-6-4-3-5-7-8;7-2-1-3(8)5(10)6(11)4(2)9;2-1(3)4/h3-7H,1-2H3;1H;2-4H.
What are the key properties of boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene?
boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene has a molecular weight of 351.08 g/mol, XLogP of 2.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene is sourced from PubChem (CID 161264040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).