1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane

C8H10Cl4 — CID 54000312

IUPAC1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane
SMILESCC1(Cl)C2CCC(Cl)(C2)C1(Cl)Cl
InChIInChI=1S/C8H10Cl4/c1-6(9)5-2-3-7(10,4-5)8(6,11)12/h5H,2-4H2,1H3
InChIKeyKLCJFTBWZMPSIC-UHFFFAOYSA-N
MW247.98 g/mol
LogP3.95
Rot. Bonds

About 1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane

1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane (PubChem CID 54000312) has the molecular formula C8H10Cl4 and a molecular weight of 247.98 g/mol. Its IUPAC name is 1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane
PubChem CID54000312
Molecular FormulaC8H10Cl4
Molecular Weight247.98 g/mol
Exact Mass245.95
IUPAC Name1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane
SMILESCC1(Cl)C2CCC(Cl)(C2)C1(Cl)Cl
InChIInChI=1S/C8H10Cl4/c1-6(9)5-2-3-7(10,4-5)8(6,11)12/h5H,2-4H2,1H3
InChIKeyKLCJFTBWZMPSIC-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.98
LogP ≤ 53.95
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

1-chloro-7,7-dimethylbicyclo[2.2.1]heptane;hydrochloride
CID 159301081
1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
CID 141349700
chloro-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)silane
CID 172778612
1-tert-butyl-5,5-dimethylbicyclo[2.1.1]hexane
CID 166031080
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
(1R,2S,4S)-2-tert-butyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 101234251
1-chloro-1,2,2,3-tetramethylcyclopropane
CID 14202704
(1S,4S)-2-chloro-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 46855987
1-chloro-9-methylbicyclo[3.3.1]nonan-9-ol
CID 15105152
(1S,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
CID 6560191
2-ethyl-1,2-dimethylbicyclo[2.2.0]hexane
CID 123379170
1,2,7,7-tetramethyl-2-azoniabicyclo[2.2.1]heptane
CID 20648043

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane?
The IUPAC name of 1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane (CID 54000312) is 1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for 1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane?
The canonical SMILES for 1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane is CC1(Cl)C2CCC(Cl)(C2)C1(Cl)Cl.
What is the InChIKey of 1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane?
The InChIKey is KLCJFTBWZMPSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl4/c1-6(9)5-2-3-7(10,4-5)8(6,11)12/h5H,2-4H2,1H3.
What are the key properties of 1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane?
1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane has a molecular weight of 247.98 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetrachloro-3-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 54000312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).