difluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane

C9H7BF2N2 — CID 10198021

IUPACdifluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane
SMILESFB(F)n1cccc1/C=C1/C=CC=N1
InChIInChI=1S/C9H7BF2N2/c11-10(12)14-6-2-4-9(14)7-8-3-1-5-13-8/h1-7H/b8-7-
InChIKeyAYOISVHOJIBPHW-FPLPWBNLSA-N
MW191.98 g/mol
LogP2.24
Rot. Bonds2

About difluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane

difluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane (PubChem CID 10198021) has the molecular formula C9H7BF2N2 and a molecular weight of 191.98 g/mol. Its IUPAC name is difluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane.

Molecular Properties

Compound Namedifluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane
PubChem CID10198021
Molecular FormulaC9H7BF2N2
Molecular Weight191.98 g/mol
Exact Mass192.07
IUPAC Namedifluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane
SMILESFB(F)n1cccc1/C=C1/C=CC=N1
InChIInChI=1S/C9H7BF2N2/c11-10(12)14-6-2-4-9(14)7-8-3-1-5-13-8/h1-7H/b8-7-
InChIKeyAYOISVHOJIBPHW-FPLPWBNLSA-N
XLogP2.24
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.98
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane?
The IUPAC name of difluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane (CID 10198021) is difluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane.
What is the SMILES notation for difluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane?
The canonical SMILES for difluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane is FB(F)n1cccc1/C=C1/C=CC=N1.
What is the InChIKey of difluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane?
The InChIKey is AYOISVHOJIBPHW-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H7BF2N2/c11-10(12)14-6-2-4-9(14)7-8-3-1-5-13-8/h1-7H/b8-7-.
What are the key properties of difluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane?
difluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane has a molecular weight of 191.98 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[2-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-1-yl]borane is sourced from PubChem (CID 10198021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).