trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate

C12H13BrO2 — CID 132553582

IUPACtrans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1c1ccccc1Br
InChIInChI=1S/C12H13BrO2/c1-2-15-12(14)10-7-9(10)8-5-3-4-6-11(8)13/h3-6,9-10H,2,7H2,1H3/t9-,10+/m1/s1
InChIKeyAFAVTASUKCFIHU-ZJUUUORDSA-N
MW269.14 g/mol
LogP3.12
Rot. Bonds3

About trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate

trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate (PubChem CID 132553582) has the molecular formula C12H13BrO2 and a molecular weight of 269.14 g/mol. Its IUPAC name is trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate
PubChem CID132553582
Molecular FormulaC12H13BrO2
Molecular Weight269.14 g/mol
Exact Mass268.01
IUPAC Nametrans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1c1ccccc1Br
InChIInChI=1S/C12H13BrO2/c1-2-15-12(14)10-7-9(10)8-5-3-4-6-11(8)13/h3-6,9-10H,2,7H2,1H3/t9-,10+/m1/s1
InChIKeyAFAVTASUKCFIHU-ZJUUUORDSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-bromophenyl)cyclopropane-1-carboxylate
CID 85264672
cis-ethyl (1S,2R)-2-(2-chlorophenyl)cyclopropane-1-carboxylate
CID 86338840
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
ethyl 2-(4-hydroxy-2,3-dimethylphenyl)cyclopropane-1-carboxylate
CID 90118005
1-fluoro-2-[(1R,2R)-2-methylcyclopropyl]benzene;trans-ethyl (1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 161322254
ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718704
ethyl 2-(2-chloro-4-fluorophenyl)cyclopropane-1-carboxylate
CID 67292186
cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
ethyl 2-bromobicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylate
CID 131530657
cis-ethyl (1R,2S)-2-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylate
CID 124561675
trans-methyl (1R,5R)-2-(2-bromophenyl)-5-fluorocyclohexane-1-carboxylate
CID 11493390

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate (CID 132553582) is trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@@H]1c1ccccc1Br.
What is the InChIKey of trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate?
The InChIKey is AFAVTASUKCFIHU-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H13BrO2/c1-2-15-12(14)10-7-9(10)8-5-3-4-6-11(8)13/h3-6,9-10H,2,7H2,1H3/t9-,10+/m1/s1.
What are the key properties of trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate?
trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate has a molecular weight of 269.14 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2S)-2-(2-bromophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 132553582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).