(1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane

C8H12Br2 — CID 101447232

IUPAC(1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane
SMILESBrC(Br)[C@@H]1CCC[C@@H]2C[C@@H]21
InChIInChI=1S/C8H12Br2/c9-8(10)6-3-1-2-5-4-7(5)6/h5-8H,1-4H2/t5-,6-,7+/m1/s1
InChIKeyDQWNYJJRVWGKBH-QYNIQEEDSA-N
MW267.99 g/mol
LogP3.54
Rot. Bonds1

About (1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane

(1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane (PubChem CID 101447232) has the molecular formula C8H12Br2 and a molecular weight of 267.99 g/mol. Its IUPAC name is (1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane
PubChem CID101447232
Molecular FormulaC8H12Br2
Molecular Weight267.99 g/mol
Exact Mass265.93
IUPAC Name(1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane
SMILESBrC(Br)[C@@H]1CCC[C@@H]2C[C@@H]21
InChIInChI=1S/C8H12Br2/c9-8(10)6-3-1-2-5-4-7(5)6/h5-8H,1-4H2/t5-,6-,7+/m1/s1
InChIKeyDQWNYJJRVWGKBH-QYNIQEEDSA-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 ≤ 500267.99
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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Related Compounds

(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
(3aR,5R,6S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-5,6-diol
CID 130891181
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-1-ol
CID 71775317
2-(dichloromethyl)bicyclo[3.1.0]hexane
CID 74080597
tetracyclo[6.3.1.02,6.010,12]dodecane
CID 146743747
nonacyclo[17.2.0.02,5.03,21.04,7.06,9.08,11.010,13.012,15]henicosane
CID 20700610
tricyclo[4.4.0.02,8]decane
CID 585864
tetracyclo[8.2.1.02,9.03,7]tridecane
CID 117070325
2-(dibromomethyl)bicyclo[2.2.1]heptane
CID 68736675
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane?
The IUPAC name of (1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane (CID 101447232) is (1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane?
The canonical SMILES for (1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane is BrC(Br)[C@@H]1CCC[C@@H]2C[C@@H]21.
What is the InChIKey of (1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane?
The InChIKey is DQWNYJJRVWGKBH-QYNIQEEDSA-N. The full InChI is InChI=1S/C8H12Br2/c9-8(10)6-3-1-2-5-4-7(5)6/h5-8H,1-4H2/t5-,6-,7+/m1/s1.
What are the key properties of (1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane?
(1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane has a molecular weight of 267.99 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 (1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane is sourced from PubChem (CID 101447232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).