2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one

C7H7BrCl2O2 — CID 5251128

IUPAC2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one
SMILESO=C1C2CC(O)C(Br)C2C1(Cl)Cl
InChIInChI=1S/C7H7BrCl2O2/c8-5-3(11)1-2-4(5)7(9,10)6(2)12/h2-5,11H,1H2
InChIKeyHHNOSMIZUYFFOX-UHFFFAOYSA-N
MW273.94 g/mol
LogP1.50
Rot. Bonds

About 2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one

2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one (PubChem CID 5251128) has the molecular formula C7H7BrCl2O2 and a molecular weight of 273.94 g/mol. Its IUPAC name is 2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one.

Molecular Properties

Compound Name2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one
PubChem CID5251128
Molecular FormulaC7H7BrCl2O2
Molecular Weight273.94 g/mol
Exact Mass271.90
IUPAC Name2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one
SMILESO=C1C2CC(O)C(Br)C2C1(Cl)Cl
InChIInChI=1S/C7H7BrCl2O2/c8-5-3(11)1-2-4(5)7(9,10)6(2)12/h2-5,11H,1H2
InChIKeyHHNOSMIZUYFFOX-UHFFFAOYSA-N
XLogP1.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.94
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,3-dichlorobicyclo[2.2.0]hexan-2-one
CID 12856941
(4aS,6S,7R,8aS)-6,7-dihydroxy-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 10899593
2,2-dichloro-7,7a-dihydro-2aH-cyclobuta[a]inden-1-one
CID 2776683
7,7-dichloro-3-methylbicyclo[3.2.0]hept-2-en-6-one
CID 20617769
(1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione
CID 98164011
(3aS,4aR,7aS,8aR)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 102422386
2,2,4-trichlorocyclobutane-1,3-dione
CID 54552790
(1R,9S,10S,12S)-10-hydroxy-12-methyl-1-nitrobicyclo[7.3.1]tridecan-13-one
CID 53392305
(1S,3S,5S,7S)-4-bromoadamantane-2,6-dione
CID 11139326
(3aS,5R,6S,7aS)-5,6-dibromo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
CID 98044487
(1S,3S,4S,5S)-4-bromo-3-hydroxy-1-methylbicyclo[3.2.0]heptan-6-one
CID 11820702
(1R,2S,3S,6S,7S,8R,9S,10S)-9,10-dibromo-3,4,5,6,12,12-hexachlorotetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 124922062

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one?
The IUPAC name of 2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one (CID 5251128) is 2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one.
What is the SMILES notation for 2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one?
The canonical SMILES for 2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one is O=C1C2CC(O)C(Br)C2C1(Cl)Cl.
What is the InChIKey of 2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one?
The InChIKey is HHNOSMIZUYFFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrCl2O2/c8-5-3(11)1-2-4(5)7(9,10)6(2)12/h2-5,11H,1H2.
What are the key properties of 2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one?
2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one has a molecular weight of 273.94 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7,7-dichloro-3-hydroxybicyclo[3.2.0]heptan-6-one is sourced from PubChem (CID 5251128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).