(2S,3S)-2,3-dibromobicyclo[2.2.1]heptane

C7H10Br2 — CID 102417955

IUPAC(2S,3S)-2,3-dibromobicyclo[2.2.1]heptane
SMILESBr[C@H]1C2CCC(C2)[C@@H]1Br
InChIInChI=1S/C7H10Br2/c8-6-4-1-2-5(3-4)7(6)9/h4-7H,1-3H2/t4?,5?,6-,7-/m0/s1
InChIKeyIZDDPSZQOJBKGK-FTDRKVFOSA-N
MW253.96 g/mol
LogP2.94
Rot. Bonds

About (2S,3S)-2,3-dibromobicyclo[2.2.1]heptane

(2S,3S)-2,3-dibromobicyclo[2.2.1]heptane (PubChem CID 102417955) has the molecular formula C7H10Br2 and a molecular weight of 253.96 g/mol. Its IUPAC name is (2S,3S)-2,3-dibromobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2S,3S)-2,3-dibromobicyclo[2.2.1]heptane
PubChem CID102417955
Molecular FormulaC7H10Br2
Molecular Weight253.96 g/mol
Exact Mass251.91
IUPAC Name(2S,3S)-2,3-dibromobicyclo[2.2.1]heptane
SMILESBr[C@H]1C2CCC(C2)[C@@H]1Br
InChIInChI=1S/C7H10Br2/c8-6-4-1-2-5(3-4)7(6)9/h4-7H,1-3H2/t4?,5?,6-,7-/m0/s1
InChIKeyIZDDPSZQOJBKGK-FTDRKVFOSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.96
LogP ≤ 52.94
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 (2S,3S)-2,3-dibromobicyclo[2.2.1]heptane?
The IUPAC name of (2S,3S)-2,3-dibromobicyclo[2.2.1]heptane (CID 102417955) is (2S,3S)-2,3-dibromobicyclo[2.2.1]heptane.
What is the SMILES notation for (2S,3S)-2,3-dibromobicyclo[2.2.1]heptane?
The canonical SMILES for (2S,3S)-2,3-dibromobicyclo[2.2.1]heptane is Br[C@H]1C2CCC(C2)[C@@H]1Br.
What is the InChIKey of (2S,3S)-2,3-dibromobicyclo[2.2.1]heptane?
The InChIKey is IZDDPSZQOJBKGK-FTDRKVFOSA-N. The full InChI is InChI=1S/C7H10Br2/c8-6-4-1-2-5(3-4)7(6)9/h4-7H,1-3H2/t4?,5?,6-,7-/m0/s1.
What are the key properties of (2S,3S)-2,3-dibromobicyclo[2.2.1]heptane?
(2S,3S)-2,3-dibromobicyclo[2.2.1]heptane has a molecular weight of 253.96 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dibromobicyclo[2.2.1]heptane is sourced from PubChem (CID 102417955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).