[(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate

C8H14Cl2O2 — CID 10976792

IUPAC[(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate
SMILESCC(C)(C)[C@H](CCl)OC(=O)CCl
InChIInChI=1S/C8H14Cl2O2/c1-8(2,3)6(4-9)12-7(11)5-10/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyJYIAWDDUWJVDKS-LURJTMIESA-N
MW213.10 g/mol
LogP2.42
Rot. Bonds3

About [(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate

[(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate (PubChem CID 10976792) has the molecular formula C8H14Cl2O2 and a molecular weight of 213.10 g/mol. Its IUPAC name is [(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate.

Molecular Properties

Compound Name[(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate
PubChem CID10976792
Molecular FormulaC8H14Cl2O2
Molecular Weight213.10 g/mol
Exact Mass212.04
IUPAC Name[(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate
SMILESCC(C)(C)[C@H](CCl)OC(=O)CCl
InChIInChI=1S/C8H14Cl2O2/c1-8(2,3)6(4-9)12-7(11)5-10/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyJYIAWDDUWJVDKS-LURJTMIESA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.10
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate?
The IUPAC name of [(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate (CID 10976792) is [(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate.
What is the SMILES notation for [(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate?
The canonical SMILES for [(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate is CC(C)(C)[C@H](CCl)OC(=O)CCl.
What is the InChIKey of [(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate?
The InChIKey is JYIAWDDUWJVDKS-LURJTMIESA-N. The full InChI is InChI=1S/C8H14Cl2O2/c1-8(2,3)6(4-9)12-7(11)5-10/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of [(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate?
[(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate has a molecular weight of 213.10 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-chloro-3,3-dimethylbutan-2-yl] 2-chloroacetate is sourced from PubChem (CID 10976792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).