6-(bromomethyl)-2,2-difluorospiro[2.5]octane

C9H13BrF2 — CID 138040284

IUPAC6-(bromomethyl)-2,2-difluorospiro[2.5]octane
SMILESFC1(F)CC12CCC(CBr)CC2
InChIInChI=1S/C9H13BrF2/c10-5-7-1-3-8(4-2-7)6-9(8,11)12/h7H,1-6H2
InChIKeyKQEKJEMTTXZKCN-UHFFFAOYSA-N
MW239.10 g/mol
LogP3.60
Rot. Bonds1

About 6-(bromomethyl)-2,2-difluorospiro[2.5]octane

6-(bromomethyl)-2,2-difluorospiro[2.5]octane (PubChem CID 138040284) has the molecular formula C9H13BrF2 and a molecular weight of 239.10 g/mol. Its IUPAC name is 6-(bromomethyl)-2,2-difluorospiro[2.5]octane.

Molecular Properties

Compound Name6-(bromomethyl)-2,2-difluorospiro[2.5]octane
PubChem CID138040284
Molecular FormulaC9H13BrF2
Molecular Weight239.10 g/mol
Exact Mass238.02
IUPAC Name6-(bromomethyl)-2,2-difluorospiro[2.5]octane
SMILESFC1(F)CC12CCC(CBr)CC2
InChIInChI=1S/C9H13BrF2/c10-5-7-1-3-8(4-2-7)6-9(8,11)12/h7H,1-6H2
InChIKeyKQEKJEMTTXZKCN-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2,2-difluorospiro[2.5]octane?
The IUPAC name of 6-(bromomethyl)-2,2-difluorospiro[2.5]octane (CID 138040284) is 6-(bromomethyl)-2,2-difluorospiro[2.5]octane.
What is the SMILES notation for 6-(bromomethyl)-2,2-difluorospiro[2.5]octane?
The canonical SMILES for 6-(bromomethyl)-2,2-difluorospiro[2.5]octane is FC1(F)CC12CCC(CBr)CC2.
What is the InChIKey of 6-(bromomethyl)-2,2-difluorospiro[2.5]octane?
The InChIKey is KQEKJEMTTXZKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrF2/c10-5-7-1-3-8(4-2-7)6-9(8,11)12/h7H,1-6H2.
What are the key properties of 6-(bromomethyl)-2,2-difluorospiro[2.5]octane?
6-(bromomethyl)-2,2-difluorospiro[2.5]octane has a molecular weight of 239.10 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2,2-difluorospiro[2.5]octane is sourced from PubChem (CID 138040284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).