cis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate

C10H15Cl3O2 — CID 12607839

IUPACcis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](CC(Cl)(Cl)Cl)C1(C)C
InChIInChI=1S/C10H15Cl3O2/c1-4-15-8(14)7-6(9(7,2)3)5-10(11,12)13/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyBFRKWUSVYDWEBX-RQJHMYQMSA-N
MW273.59 g/mol
LogP3.58
Rot. Bonds3

About cis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate

cis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate (PubChem CID 12607839) has the molecular formula C10H15Cl3O2 and a molecular weight of 273.59 g/mol. Its IUPAC name is cis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate
PubChem CID12607839
Molecular FormulaC10H15Cl3O2
Molecular Weight273.59 g/mol
Exact Mass272.01
IUPAC Namecis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](CC(Cl)(Cl)Cl)C1(C)C
InChIInChI=1S/C10H15Cl3O2/c1-4-15-8(14)7-6(9(7,2)3)5-10(11,12)13/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1
InChIKeyBFRKWUSVYDWEBX-RQJHMYQMSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.59
LogP ≤ 53.58
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 cis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate (CID 12607839) is cis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1[C@@H](CC(Cl)(Cl)Cl)C1(C)C.
What is the InChIKey of cis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate?
The InChIKey is BFRKWUSVYDWEBX-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H15Cl3O2/c1-4-15-8(14)7-6(9(7,2)3)5-10(11,12)13/h6-7H,4-5H2,1-3H3/t6-,7+/m1/s1.
What are the key properties of cis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate?
cis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate has a molecular weight of 273.59 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,3R)-2,2-dimethyl-3-(2,2,2-trichloroethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 12607839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).