(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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Related Compounds

(1R,2S,3R,4S)-2-bromo-3-chlorobicyclo[2.2.1]heptane
CID 131091370
(1S,2S,3R,4S)-2-bromo-3-[[(1S,2S,3R,4S)-3-bromo-2-bicyclo[2.2.1]heptanyl]sulfanyl]bicyclo[2.2.1]heptane
CID 124773964
(1S,2R,3R,4S)-2-bromo-3-[[(1S,2S,3S,4S)-3-bromo-2-bicyclo[2.2.1]heptanyl]sulfanyl]bicyclo[2.2.1]heptane
CID 124773966
(1R,2S,3R,4S)-2-bromo-3-[[(1R,2R,3R,4S)-3-bromo-2-bicyclo[2.2.1]heptanyl]sulfanyl]bicyclo[2.2.1]heptane
CID 11899531
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
(1S,2R,3S,4S)-2-bromo-3-nitrosobicyclo[2.2.1]heptane
CID 98513283
(1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane
CID 14387272
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509
2-(4-bromocyclohexyl)-6-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 143742441
(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane
CID 124938048
tricyclo[4.3.1.12,5]undecane
CID 13070377

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).