trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane

C6H8Br2F2 — CID 14387267

IUPACtrans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane
SMILESFC(F)(Br)[C@@H]1CCC[C@H]1Br
InChIInChI=1S/C6H8Br2F2/c7-5-3-1-2-4(5)6(8,9)10/h4-5H,1-3H2/t4-,5-/m1/s1
InChIKeyTUAPWWGCZTWFMA-RFZPGFLSSA-N
MW277.93 g/mol
LogP3.54
Rot. Bonds1

About trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane

trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane (PubChem CID 14387267) has the molecular formula C6H8Br2F2 and a molecular weight of 277.93 g/mol. Its IUPAC name is trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane
PubChem CID14387267
Molecular FormulaC6H8Br2F2
Molecular Weight277.93 g/mol
Exact Mass275.90
IUPAC Nametrans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane
SMILESFC(F)(Br)[C@@H]1CCC[C@H]1Br
InChIInChI=1S/C6H8Br2F2/c7-5-3-1-2-4(5)6(8,9)10/h4-5H,1-3H2/t4-,5-/m1/s1
InChIKeyTUAPWWGCZTWFMA-RFZPGFLSSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.93
LogP ≤ 53.54
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 trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane?
The IUPAC name of trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane (CID 14387267) is trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane.
What is the SMILES notation for trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane?
The canonical SMILES for trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane is FC(F)(Br)[C@@H]1CCC[C@H]1Br.
What is the InChIKey of trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane?
The InChIKey is TUAPWWGCZTWFMA-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H8Br2F2/c7-5-3-1-2-4(5)6(8,9)10/h4-5H,1-3H2/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane?
trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane has a molecular weight of 277.93 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-bromo-2-[bromo(difluoro)methyl]cyclopentane is sourced from PubChem (CID 14387267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).