trans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate

C10H11BrO2S — CID 118433192

IUPACtrans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1cc(Br)cs1
InChIInChI=1S/C10H11BrO2S/c1-2-13-10(12)8-4-7(8)9-3-6(11)5-14-9/h3,5,7-8H,2,4H2,1H3/t7-,8-/m1/s1
InChIKeyIGOVYYQUOHWKSU-HTQZYQBOSA-N
MW275.17 g/mol
LogP3.18
Rot. Bonds3

About trans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate (PubChem CID 118433192) has the molecular formula C10H11BrO2S and a molecular weight of 275.17 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate
PubChem CID118433192
Molecular FormulaC10H11BrO2S
Molecular Weight275.17 g/mol
Exact Mass273.97
IUPAC Nametrans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1c1cc(Br)cs1
InChIInChI=1S/C10H11BrO2S/c1-2-13-10(12)8-4-7(8)9-3-6(11)5-14-9/h3,5,7-8H,2,4H2,1H3/t7-,8-/m1/s1
InChIKeyIGOVYYQUOHWKSU-HTQZYQBOSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate (CID 118433192) is trans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1c1cc(Br)cs1.
What is the InChIKey of trans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate?
The InChIKey is IGOVYYQUOHWKSU-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H11BrO2S/c1-2-13-10(12)8-4-7(8)9-3-6(11)5-14-9/h3,5,7-8H,2,4H2,1H3/t7-,8-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate has a molecular weight of 275.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 118433192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).