trifluoro(pyrimidin-4-yl)boranuide

C4H3BF3N2- — CID 162405587

IUPACtrifluoro(pyrimidin-4-yl)boranuide
SMILESF[B-](F)(F)c1ccncn1
InChIInChI=1S/C4H3BF3N2/c6-5(7,8)4-1-2-9-3-10-4/h1-3H/q-1
InChIKeyUSEUUDBWBIHKFZ-UHFFFAOYSA-N
MW146.89 g/mol
LogP0.53
Rot. Bonds1

About trifluoro(pyrimidin-4-yl)boranuide

trifluoro(pyrimidin-4-yl)boranuide (PubChem CID 162405587) has the molecular formula C4H3BF3N2- and a molecular weight of 146.89 g/mol. Its IUPAC name is trifluoro(pyrimidin-4-yl)boranuide.

Molecular Properties

Compound Nametrifluoro(pyrimidin-4-yl)boranuide
PubChem CID162405587
Molecular FormulaC4H3BF3N2-
Molecular Weight146.89 g/mol
Exact Mass147.03
IUPAC Nametrifluoro(pyrimidin-4-yl)boranuide
SMILESF[B-](F)(F)c1ccncn1
InChIInChI=1S/C4H3BF3N2/c6-5(7,8)4-1-2-9-3-10-4/h1-3H/q-1
InChIKeyUSEUUDBWBIHKFZ-UHFFFAOYSA-N
XLogP0.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.89
LogP ≤ 50.53
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

pyrrolo[3,2-d][1,3]diazepine
CID 70359339
hydron;4-methylpyrimidine
CID 174915530
4-methylpyrimidine;1,1,1-trifluoroethane
CID 143795671
CID 174458213
CID 174458213
methylphosphane;4-(trifluoromethyl)pyrimidine
CID 143699772
dimethyl(pyrimidin-4-yl)phosphane
CID 137352498
4-ethenylpyrimidine
CID 10285785
di(pyrimidin-4-yl)methanethione
CID 174450252
3-N-pyrimidin-4-ylpyridazine-3,6-diamine
CID 83618963
4-[4-(4-bromophenyl)phenyl]pyrimidine
CID 174799643
trifluoro-(4-fluoro-3-pyridinyl)boranuide
CID 133056871
ethane;molecular hydrogen;pyrimidin-4-amine
CID 143846150

Frequently Asked Questions

What is the IUPAC name of trifluoro(pyrimidin-4-yl)boranuide?
The IUPAC name of trifluoro(pyrimidin-4-yl)boranuide (CID 162405587) is trifluoro(pyrimidin-4-yl)boranuide.
What is the SMILES notation for trifluoro(pyrimidin-4-yl)boranuide?
The canonical SMILES for trifluoro(pyrimidin-4-yl)boranuide is F[B-](F)(F)c1ccncn1.
What is the InChIKey of trifluoro(pyrimidin-4-yl)boranuide?
The InChIKey is USEUUDBWBIHKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BF3N2/c6-5(7,8)4-1-2-9-3-10-4/h1-3H/q-1.
What are the key properties of trifluoro(pyrimidin-4-yl)boranuide?
trifluoro(pyrimidin-4-yl)boranuide has a molecular weight of 146.89 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(pyrimidin-4-yl)boranuide is sourced from PubChem (CID 162405587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).