ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate

C8H13FO3 — CID 79356842

IUPACethyl 2-(cyclopropylmethoxy)-2-fluoroacetate
SMILESCCOC(=O)C(F)OCC1CC1
InChIInChI=1S/C8H13FO3/c1-2-11-8(10)7(9)12-5-6-3-4-6/h6-7H,2-5H2,1H3
InChIKeyGSSWDAOCNXFBRC-UHFFFAOYSA-N
MW176.19 g/mol
LogP1.27
Rot. Bonds5

About ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate

ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate (PubChem CID 79356842) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethoxy)-2-fluoroacetate
PubChem CID79356842
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Nameethyl 2-(cyclopropylmethoxy)-2-fluoroacetate
SMILESCCOC(=O)C(F)OCC1CC1
InChIInChI=1S/C8H13FO3/c1-2-11-8(10)7(9)12-5-6-3-4-6/h6-7H,2-5H2,1H3
InChIKeyGSSWDAOCNXFBRC-UHFFFAOYSA-N
XLogP1.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate?
The IUPAC name of ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate (CID 79356842) is ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate is CCOC(=O)C(F)OCC1CC1.
What is the InChIKey of ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate?
The InChIKey is GSSWDAOCNXFBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO3/c1-2-11-8(10)7(9)12-5-6-3-4-6/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate?
ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate has a molecular weight of 176.19 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethoxy)-2-fluoroacetate is sourced from PubChem (CID 79356842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).