ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate

C7H11FO2 — CID 171935476

IUPACethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H]1F
InChIInChI=1S/C7H11FO2/c1-2-10-7(9)4-5-3-6(5)8/h5-6H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyMIYBOPOYOSBIPQ-RITPCOANSA-N
MW146.16 g/mol
LogP1.30
Rot. Bonds3

About ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate

ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate (PubChem CID 171935476) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
PubChem CID171935476
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Nameethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H]1F
InChIInChI=1S/C7H11FO2/c1-2-10-7(9)4-5-3-6(5)8/h5-6H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyMIYBOPOYOSBIPQ-RITPCOANSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
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ethyl 2-[(1R,2S)-2-hydroxy-3-methylcyclobutyl]acetate
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ethyl 2-[(3R,4S)-3-fluoropiperidin-4-yl]acetate;hydrobromide
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ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate
CID 58566598
ethyl 3-[(1S,2S)-2-fluorocyclopropyl]-3-oxopropanoate
CID 117058558
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
ethyl 2-(2-ethyl-1,1-dimethylsiletan-3-yl)acetate
CID 139777843
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
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ethyl 2-(2-methyloxolan-3-yl)acetate
CID 118541290

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate?
The IUPAC name of ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate (CID 171935476) is ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate?
The canonical SMILES for ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate is CCOC(=O)C[C@H]1C[C@@H]1F.
What is the InChIKey of ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate?
The InChIKey is MIYBOPOYOSBIPQ-RITPCOANSA-N. The full InChI is InChI=1S/C7H11FO2/c1-2-10-7(9)4-5-3-6(5)8/h5-6H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate?
ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate has a molecular weight of 146.16 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate is sourced from PubChem (CID 171935476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).