(1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane

C8H10Br2F2 — CID 14387272

IUPAC(1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane
SMILESFC(F)(Br)[C@@H]1[C@H]2CC[C@H](C2)[C@H]1Br
InChIInChI=1S/C8H10Br2F2/c9-7-5-2-1-4(3-5)6(7)8(10,11)12/h4-7H,1-3H2/t4-,5+,6+,7+/m0/s1
InChIKeyJHTZRBFWMCITQH-BDVNFPICSA-N
MW303.97 g/mol
LogP3.78
Rot. Bonds1

About (1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane

(1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane (PubChem CID 14387272) has the molecular formula C8H10Br2F2 and a molecular weight of 303.97 g/mol. Its IUPAC name is (1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane
PubChem CID14387272
Molecular FormulaC8H10Br2F2
Molecular Weight303.97 g/mol
Exact Mass301.91
IUPAC Name(1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane
SMILESFC(F)(Br)[C@@H]1[C@H]2CC[C@H](C2)[C@H]1Br
InChIInChI=1S/C8H10Br2F2/c9-7-5-2-1-4(3-5)6(7)8(10,11)12/h4-7H,1-3H2/t4-,5+,6+,7+/m0/s1
InChIKeyJHTZRBFWMCITQH-BDVNFPICSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.97
LogP ≤ 53.78
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 (1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane (CID 14387272) is (1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane is FC(F)(Br)[C@@H]1[C@H]2CC[C@H](C2)[C@H]1Br.
What is the InChIKey of (1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane?
The InChIKey is JHTZRBFWMCITQH-BDVNFPICSA-N. The full InChI is InChI=1S/C8H10Br2F2/c9-7-5-2-1-4(3-5)6(7)8(10,11)12/h4-7H,1-3H2/t4-,5+,6+,7+/m0/s1.
What are the key properties of (1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane?
(1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane has a molecular weight of 303.97 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 14387272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).