ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate

C6H8BrFO2 — CID 22371314

IUPACethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(F)Br
InChIInChI=1S/C6H8BrFO2/c1-2-10-5(9)4-3-6(4,7)8/h4H,2-3H2,1H3
InChIKeyQDPUEWUKRQZTDU-UHFFFAOYSA-N
MW211.03 g/mol
LogP1.63
Rot. Bonds2

About ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate

ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate (PubChem CID 22371314) has the molecular formula C6H8BrFO2 and a molecular weight of 211.03 g/mol. Its IUPAC name is ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
PubChem CID22371314
Molecular FormulaC6H8BrFO2
Molecular Weight211.03 g/mol
Exact Mass209.97
IUPAC Nameethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1(F)Br
InChIInChI=1S/C6H8BrFO2/c1-2-10-5(9)4-3-6(4,7)8/h4H,2-3H2,1H3
InChIKeyQDPUEWUKRQZTDU-UHFFFAOYSA-N
XLogP1.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.03
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2-chloro-2-formylcyclopropane-1-carboxylate
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CID 118364434
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CID 164536312
2-bromo-2-ethoxycarbonylcyclopropane-1-carboxylic acid
CID 139621481
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CID 118383562

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate (CID 22371314) is ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate is CCOC(=O)C1CC1(F)Br.
What is the InChIKey of ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate?
The InChIKey is QDPUEWUKRQZTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrFO2/c1-2-10-5(9)4-3-6(4,7)8/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate?
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate has a molecular weight of 211.03 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate is sourced from PubChem (CID 22371314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).