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Ethyl 2-chloro-2-fluorocyclopropanecarboxylate

HCID 9793930
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C1CC1(F)Cl
InChIKey
BPHKGPOPPUFFMG-UHFFFAOYSA-N
Molecular formula
C6H8ClFO2
Average molar mass
166.58 g/mol
Monoisotopic mass
166.0196853

Names & identifiers

Preferred name
Ethyl 2-chloro-2-fluorocyclopropanecarboxylate
IUPAC
ethyl 2-chloro-2-fluorocyclopropane-1-carboxylate

Names & synonyms

Ethyl 2-chloro-2-fluorocyclopropanecarboxylate155051-93-7Ethyl 2-chloro-2-fluorocyclopropane-1-carboxylateMFCD26404044Ethyl 2-chloro-2-fluoro-cyclopropanecarboxylateC6H8ClFO22-chloro-2-fluorocyclopropanecarboxylic acid ethyl esterEthyl 2-chloro-2-fluoro-1-cyclopropanecarboxylateSCHEMBL7189787BPHKGPOPPUFFMG-UHFFFAOYSA-NCS3138AKOS024462417
Show more names
AC-31164DB-198129CS-0447397ethyl2-chloro-2-fluorocyclopropanecarboxylateethyl 2-chloro-2-fluorocyclopropane-carboxylateF462400

Database identifiers

PubChem CID
9793930
Nikkaji
J1.634.747G

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
10
Formal charge
0
Complexity
162

Related reactions

15 records
New reaction record
HRID 120369 reaction equation
HRID 120369As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 160898 reaction equation
HRID 160898As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 172614 reaction equation
HRID 172614As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 468893 reaction equation
HRID 468893As productuspto-grants-2014_01
HRID 821963 reaction equation
HRID 821963As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 948283 reaction equation
HRID 948283As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1358732 reaction equation
HRID 1358732As productuspto-grants-2003_07
HRID 1358733 reaction equation
HRID 1358733As productuspto-grants-2003_07
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Compound notes

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