2-bromo-1-(trifluoromethyl)spiro[2.2]pentane

C6H6BrF3 — CID 139245762

IUPAC2-bromo-1-(trifluoromethyl)spiro[2.2]pentane
SMILESFC(F)(F)C1C(Br)C12CC2
InChIInChI=1S/C6H6BrF3/c7-4-3(6(8,9)10)5(4)1-2-5/h3-4H,1-2H2
InChIKeyGUMJFEJGUKDRQY-UHFFFAOYSA-N
MW215.01 g/mol
LogP2.72
Rot. Bonds

About 2-bromo-1-(trifluoromethyl)spiro[2.2]pentane

2-bromo-1-(trifluoromethyl)spiro[2.2]pentane (PubChem CID 139245762) has the molecular formula C6H6BrF3 and a molecular weight of 215.01 g/mol. Its IUPAC name is 2-bromo-1-(trifluoromethyl)spiro[2.2]pentane.

Molecular Properties

Compound Name2-bromo-1-(trifluoromethyl)spiro[2.2]pentane
PubChem CID139245762
Molecular FormulaC6H6BrF3
Molecular Weight215.01 g/mol
Exact Mass213.96
IUPAC Name2-bromo-1-(trifluoromethyl)spiro[2.2]pentane
SMILESFC(F)(F)C1C(Br)C12CC2
InChIInChI=1S/C6H6BrF3/c7-4-3(6(8,9)10)5(4)1-2-5/h3-4H,1-2H2
InChIKeyGUMJFEJGUKDRQY-UHFFFAOYSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.01
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-bromospiro[2.2]pentan-1-yl)-difluoroborane
CID 139245764
1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane
CID 89333882
4-bromo-1-fluoro-1-(trifluoromethyl)cyclohexane
CID 84737631
3-[bromo(difluoro)methyl]-3-fluorocyclohexan-1-amine
CID 107140639
cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 95278571
3-bromo-1-(trifluoromethyl)cyclopentan-1-ol
CID 84736355
1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
CID 75481559
1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759665
1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756511
(1-cyclopropylcyclopropyl)cyclopentane
CID 57169070
3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
CID 102723537
3-bromo-1-(2,2,2-trifluoroethoxy)spiro[3.6]decane
CID 66345296

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(trifluoromethyl)spiro[2.2]pentane?
The IUPAC name of 2-bromo-1-(trifluoromethyl)spiro[2.2]pentane (CID 139245762) is 2-bromo-1-(trifluoromethyl)spiro[2.2]pentane.
What is the SMILES notation for 2-bromo-1-(trifluoromethyl)spiro[2.2]pentane?
The canonical SMILES for 2-bromo-1-(trifluoromethyl)spiro[2.2]pentane is FC(F)(F)C1C(Br)C12CC2.
What is the InChIKey of 2-bromo-1-(trifluoromethyl)spiro[2.2]pentane?
The InChIKey is GUMJFEJGUKDRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF3/c7-4-3(6(8,9)10)5(4)1-2-5/h3-4H,1-2H2.
What are the key properties of 2-bromo-1-(trifluoromethyl)spiro[2.2]pentane?
2-bromo-1-(trifluoromethyl)spiro[2.2]pentane has a molecular weight of 215.01 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(trifluoromethyl)spiro[2.2]pentane is sourced from PubChem (CID 139245762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).