trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide

C5H4BF6N2- — CID 63702049

IUPACtrifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide
SMILESF[B-](F)(F)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H4BF6N2/c7-5(8,9)4-1-2-14(13-4)3-6(10,11)12/h1-2H,3H2/q-1
InChIKeySQCFDFDDYHXYCB-UHFFFAOYSA-N
MW216.90 g/mol
LogP2.29
Rot. Bonds2

About trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide

trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide (PubChem CID 63702049) has the molecular formula C5H4BF6N2- and a molecular weight of 216.90 g/mol. Its IUPAC name is trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide.

Molecular Properties

Compound Nametrifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide
PubChem CID63702049
Molecular FormulaC5H4BF6N2-
Molecular Weight216.90 g/mol
Exact Mass217.04
IUPAC Nametrifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide
SMILESF[B-](F)(F)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H4BF6N2/c7-5(8,9)4-1-2-14(13-4)3-6(10,11)12/h1-2H,3H2/q-1
InChIKeySQCFDFDDYHXYCB-UHFFFAOYSA-N
XLogP2.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.90
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]methanimidamide
CID 162571080
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole
CID 116621367
1-[(E)-but-2-enyl]-3-(trifluoromethyl)pyrazole
CID 116621378
N,N-dimethyl-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 162611382
1-(cyclobutylmethyl)-3-(trifluoromethyl)pyrazole
CID 115761326
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809
1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 52751123
N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 114526778
trimethyl-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]silane
CID 103438540
1-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 112560244
N,2,2-trimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 79620979

Frequently Asked Questions

What is the IUPAC name of trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide?
The IUPAC name of trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide (CID 63702049) is trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide.
What is the SMILES notation for trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide?
The canonical SMILES for trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide is F[B-](F)(F)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide?
The InChIKey is SQCFDFDDYHXYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BF6N2/c7-5(8,9)4-1-2-14(13-4)3-6(10,11)12/h1-2H,3H2/q-1.
What are the key properties of trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide?
trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide has a molecular weight of 216.90 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]boranuide is sourced from PubChem (CID 63702049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).