(2S,3R)-1,1,2,3-tetrachlorocyclohexane

C6H8Cl4 — CID 91753297

IUPAC(2S,3R)-1,1,2,3-tetrachlorocyclohexane
SMILESCl[C@@H]1CCCC(Cl)(Cl)[C@H]1Cl
InChIInChI=1S/C6H8Cl4/c7-4-2-1-3-6(9,10)5(4)8/h4-5H,1-3H2/t4-,5+/m1/s1
InChIKeyDAPOKGIHMOAVTF-UHNVWZDZSA-N
MW221.94 g/mol
LogP3.56
Rot. Bonds

About (2S,3R)-1,1,2,3-tetrachlorocyclohexane

(2S,3R)-1,1,2,3-tetrachlorocyclohexane (PubChem CID 91753297) has the molecular formula C6H8Cl4 and a molecular weight of 221.94 g/mol. Its IUPAC name is (2S,3R)-1,1,2,3-tetrachlorocyclohexane.

Molecular Properties

Compound Name(2S,3R)-1,1,2,3-tetrachlorocyclohexane
PubChem CID91753297
Molecular FormulaC6H8Cl4
Molecular Weight221.94 g/mol
Exact Mass219.94
IUPAC Name(2S,3R)-1,1,2,3-tetrachlorocyclohexane
SMILESCl[C@@H]1CCCC(Cl)(Cl)[C@H]1Cl
InChIInChI=1S/C6H8Cl4/c7-4-2-1-3-6(9,10)5(4)8/h4-5H,1-3H2/t4-,5+/m1/s1
InChIKeyDAPOKGIHMOAVTF-UHNVWZDZSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.94
LogP ≤ 53.56
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

1,1,2,3,4-pentachlorocyclohexane
CID 54156821
1,2,3,4,5,6-hexachlorocyclodecane
CID 23497888
trans-(1R,2S)-1,2-diamino-2,3-dichlorocyclohexan-1-ol
CID 57325300
1-chloro-9-oxabicyclo[3.3.1]nonane
CID 5324855
(1R)-1,3,4-trichloro-1-methylcyclohexane
CID 174855385
trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol
CID 131071734
cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol
CID 10376231
2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane
CID 163368222
1,1,2,2,3,3-hexachlorocyclohexane
CID 22272158
trans-(1R,2R)-1-chloro-2-(trichloromethylsulfanyl)cyclohexane
CID 11587076
1-chloro-2-iodocyclooctane
CID 74820924
3-chlorospiro[3.4]octane
CID 141290202

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1,1,2,3-tetrachlorocyclohexane?
The IUPAC name of (2S,3R)-1,1,2,3-tetrachlorocyclohexane (CID 91753297) is (2S,3R)-1,1,2,3-tetrachlorocyclohexane.
What is the SMILES notation for (2S,3R)-1,1,2,3-tetrachlorocyclohexane?
The canonical SMILES for (2S,3R)-1,1,2,3-tetrachlorocyclohexane is Cl[C@@H]1CCCC(Cl)(Cl)[C@H]1Cl.
What is the InChIKey of (2S,3R)-1,1,2,3-tetrachlorocyclohexane?
The InChIKey is DAPOKGIHMOAVTF-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H8Cl4/c7-4-2-1-3-6(9,10)5(4)8/h4-5H,1-3H2/t4-,5+/m1/s1.
What are the key properties of (2S,3R)-1,1,2,3-tetrachlorocyclohexane?
(2S,3R)-1,1,2,3-tetrachlorocyclohexane has a molecular weight of 221.94 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1,1,2,3-tetrachlorocyclohexane is sourced from PubChem (CID 91753297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).