2-(dibromomethyl)bicyclo[2.2.1]heptane

C8H12Br2 — CID 68736675

IUPAC2-(dibromomethyl)bicyclo[2.2.1]heptane
SMILESBrC(Br)C1CC2CCC1C2
InChIInChI=1S/C8H12Br2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-8H,1-4H2
InChIKeyUFCPJKQHTZZGJL-UHFFFAOYSA-N
MW267.99 g/mol
LogP3.54
Rot. Bonds1

About 2-(dibromomethyl)bicyclo[2.2.1]heptane

2-(dibromomethyl)bicyclo[2.2.1]heptane (PubChem CID 68736675) has the molecular formula C8H12Br2 and a molecular weight of 267.99 g/mol. Its IUPAC name is 2-(dibromomethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(dibromomethyl)bicyclo[2.2.1]heptane
PubChem CID68736675
Molecular FormulaC8H12Br2
Molecular Weight267.99 g/mol
Exact Mass265.93
IUPAC Name2-(dibromomethyl)bicyclo[2.2.1]heptane
SMILESBrC(Br)C1CC2CCC1C2
InChIInChI=1S/C8H12Br2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-8H,1-4H2
InChIKeyUFCPJKQHTZZGJL-UHFFFAOYSA-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

(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
amino(2-bicyclo[2.2.1]heptanyl)methanol
CID 166969475
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]propanedinitrile
CID 11252164
2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane
CID 63438557
2-[bromo-(2,4,5-trifluorophenyl)methyl]bicyclo[2.2.1]heptane
CID 103304222
2-[bromo-[4-(2-methylpropyl)phenyl]methyl]bicyclo[2.2.1]heptane
CID 63435569
1-(2-bicyclo[2.2.1]heptanyl)prop-2-en-1-ol
CID 115814815
2-bicyclo[2.2.1]heptanyl(cycloocten-1-yl)methanol
CID 106657571
2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane
CID 91611699

Frequently Asked Questions

What is the IUPAC name of 2-(dibromomethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(dibromomethyl)bicyclo[2.2.1]heptane (CID 68736675) is 2-(dibromomethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(dibromomethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(dibromomethyl)bicyclo[2.2.1]heptane is BrC(Br)C1CC2CCC1C2.
What is the InChIKey of 2-(dibromomethyl)bicyclo[2.2.1]heptane?
The InChIKey is UFCPJKQHTZZGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2/c9-8(10)7-4-5-1-2-6(7)3-5/h5-8H,1-4H2.
What are the key properties of 2-(dibromomethyl)bicyclo[2.2.1]heptane?
2-(dibromomethyl)bicyclo[2.2.1]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 2-(dibromomethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 68736675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).