difluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane

C8H10BF2N3 — CID 142754024

IUPACdifluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane
SMILESFB(F)c1cncc(N2CCCC2)n1
InChIInChI=1S/C8H10BF2N3/c10-9(11)7-5-12-6-8(13-7)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyPCXROVDODRRCBO-UHFFFAOYSA-N
MW197.00 g/mol
LogP0.71
Rot. Bonds2

About difluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane

difluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane (PubChem CID 142754024) has the molecular formula C8H10BF2N3 and a molecular weight of 197.00 g/mol. Its IUPAC name is difluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane.

Molecular Properties

Compound Namedifluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane
PubChem CID142754024
Molecular FormulaC8H10BF2N3
Molecular Weight197.00 g/mol
Exact Mass197.09
IUPAC Namedifluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane
SMILESFB(F)c1cncc(N2CCCC2)n1
InChIInChI=1S/C8H10BF2N3/c10-9(11)7-5-12-6-8(13-7)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyPCXROVDODRRCBO-UHFFFAOYSA-N
XLogP0.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.00
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane?
The IUPAC name of difluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane (CID 142754024) is difluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane.
What is the SMILES notation for difluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane?
The canonical SMILES for difluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane is FB(F)c1cncc(N2CCCC2)n1.
What is the InChIKey of difluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane?
The InChIKey is PCXROVDODRRCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BF2N3/c10-9(11)7-5-12-6-8(13-7)14-3-1-2-4-14/h5-6H,1-4H2.
What are the key properties of difluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane?
difluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane has a molecular weight of 197.00 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(6-pyrrolidin-1-ylpyrazin-2-yl)borane is sourced from PubChem (CID 142754024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).