(2-bromospiro[2.2]pentan-1-yl)-difluoroborane

C5H6BBrF2 — CID 139245764

IUPAC(2-bromospiro[2.2]pentan-1-yl)-difluoroborane
SMILESFB(F)C1C(Br)C12CC2
InChIInChI=1S/C5H6BBrF2/c7-4-3(6(8)9)5(4)1-2-5/h3-4H,1-2H2
InChIKeyWZASJCLBHOCOAF-UHFFFAOYSA-N
MW194.81 g/mol
LogP2.34
Rot. Bonds1

About (2-bromospiro[2.2]pentan-1-yl)-difluoroborane

(2-bromospiro[2.2]pentan-1-yl)-difluoroborane (PubChem CID 139245764) has the molecular formula C5H6BBrF2 and a molecular weight of 194.81 g/mol. Its IUPAC name is (2-bromospiro[2.2]pentan-1-yl)-difluoroborane.

Molecular Properties

Compound Name(2-bromospiro[2.2]pentan-1-yl)-difluoroborane
PubChem CID139245764
Molecular FormulaC5H6BBrF2
Molecular Weight194.81 g/mol
Exact Mass193.97
IUPAC Name(2-bromospiro[2.2]pentan-1-yl)-difluoroborane
SMILESFB(F)C1C(Br)C12CC2
InChIInChI=1S/C5H6BBrF2/c7-4-3(6(8)9)5(4)1-2-5/h3-4H,1-2H2
InChIKeyWZASJCLBHOCOAF-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.81
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 139245762
CID 139245763
CID 139245763
4-bromo-1-fluoro-1-(trifluoromethyl)cyclohexane
CID 84737631
spiro[bicyclo[1.1.1]pentane-2,1'-cyclopropane]
CID 123804812
2-bromo-1,1-difluoro-3-methylcyclopropane
CID 178201013
1-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]prop-2-en-1-one
CID 11346007
tricyclo[4.1.0.01,3]heptane-4,5-dione
CID 85230200
9-bromodispiro[3.0.35.14]nonane
CID 155822084
2,7,9,14-tetrabromo-3,3,6,6,10,10,13,13-octamethylcyclotetradecane-1,8-dione
CID 102211526
3-cyclopropyl-1,1-difluorocyclohexane
CID 174758607
(4aS,8aS)-7,7-difluoro-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
CID 162534781
6,6-difluoro-1,2,3,3a,4,5,7,7a-octahydroindene
CID 45090704

Frequently Asked Questions

What is the IUPAC name of (2-bromospiro[2.2]pentan-1-yl)-difluoroborane?
The IUPAC name of (2-bromospiro[2.2]pentan-1-yl)-difluoroborane (CID 139245764) is (2-bromospiro[2.2]pentan-1-yl)-difluoroborane.
What is the SMILES notation for (2-bromospiro[2.2]pentan-1-yl)-difluoroborane?
The canonical SMILES for (2-bromospiro[2.2]pentan-1-yl)-difluoroborane is FB(F)C1C(Br)C12CC2.
What is the InChIKey of (2-bromospiro[2.2]pentan-1-yl)-difluoroborane?
The InChIKey is WZASJCLBHOCOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BBrF2/c7-4-3(6(8)9)5(4)1-2-5/h3-4H,1-2H2.
What are the key properties of (2-bromospiro[2.2]pentan-1-yl)-difluoroborane?
(2-bromospiro[2.2]pentan-1-yl)-difluoroborane has a molecular weight of 194.81 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromospiro[2.2]pentan-1-yl)-difluoroborane is sourced from PubChem (CID 139245764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).