boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium

C10H16BF5NO3+ — CID 159111301

IUPACboric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium
SMILESC[N+](C)(C)C.Fc1cc(F)c(F)c(F)c1F.OB(O)O
InChIInChI=1S/C6HF5.C4H12N.BH3O3/c7-2-1-3(8)5(10)6(11)4(2)9;1-5(2,3)4;2-1(3)4/h1H;1-4H3;2-4H/q;+1;
InChIKeyKENJREHSLKLPKE-UHFFFAOYSA-N
MW304.04 g/mol
LogP0.65
Rot. Bonds

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

boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium (PubChem CID 159111301) has the molecular formula C10H16BF5NO3+ and a molecular weight of 304.04 g/mol. Its IUPAC name is boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium.

Molecular Properties

Compound Nameboric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium
PubChem CID159111301
Molecular FormulaC10H16BF5NO3+
Molecular Weight304.04 g/mol
Exact Mass304.11
IUPAC Nameboric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium
SMILESC[N+](C)(C)C.Fc1cc(F)c(F)c(F)c1F.OB(O)O
InChIInChI=1S/C6HF5.C4H12N.BH3O3/c7-2-1-3(8)5(10)6(11)4(2)9;1-5(2,3)4;2-1(3)4/h1H;1-4H3;2-4H/q;+1;
InChIKeyKENJREHSLKLPKE-UHFFFAOYSA-N
XLogP0.65
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.04
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

boric acid;1,2,3,4,5-pentafluorobenzene;silver
CID 159886582
ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
CID 165395755
CID 172801487
CID 172801487
boric acid;N,N-dimethylaniline;1,2,3,4,5-pentafluorobenzene
CID 161264040
magnesium;1,2,3,4,5-pentafluorobenzene;dibromide
CID 157145782
(2,3,4,6-tetrafluorophenoxy)boronic acid
CID 23221750
1,2,3,5,6,7-hexafluoro-4,8-bis(2,3,4,6-tetrafluorophenyl)naphthalene
CID 12635103
formamide;1,2,3,4,5-pentafluorobenzene
CID 160585711
CID 121362412
CID 121362412
(1,4,5,6,7,8-hexafluoronaphthalen-2-yl)boronic acid
CID 155897456
2,3,4,5-tetrafluorobenzaldehyde
CID 2734023
1,2,3,5-tetrafluoro-4-methylsulfanylbenzene
CID 59336372

Frequently Asked Questions

What is the IUPAC name of boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium?
The IUPAC name of boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium (CID 159111301) is boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium.
What is the SMILES notation for boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium?
The canonical SMILES for boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium is C[N+](C)(C)C.Fc1cc(F)c(F)c(F)c1F.OB(O)O.
What is the InChIKey of boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium?
The InChIKey is KENJREHSLKLPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5.C4H12N.BH3O3/c7-2-1-3(8)5(10)6(11)4(2)9;1-5(2,3)4;2-1(3)4/h1H;1-4H3;2-4H/q;+1;.
What are the key properties of boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium?
boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium has a molecular weight of 304.04 g/mol, XLogP of 0.65, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;1,2,3,4,5-pentafluorobenzene;tetramethylazanium is sourced from PubChem (CID 159111301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).