ethyl 2-cyclopropyl-2-fluoroacetate

C7H11FO2 — CID 171409758

IUPACethyl 2-cyclopropyl-2-fluoroacetate
SMILESCCOC(=O)C(F)C1CC1
InChIInChI=1S/C7H11FO2/c1-2-10-7(9)6(8)5-3-4-5/h5-6H,2-4H2,1H3
InChIKeyDEZAAKRUOQSUFS-UHFFFAOYSA-N
MW146.16 g/mol
LogP1.30
Rot. Bonds3

About ethyl 2-cyclopropyl-2-fluoroacetate

ethyl 2-cyclopropyl-2-fluoroacetate (PubChem CID 171409758) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-2-fluoroacetate
PubChem CID171409758
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Nameethyl 2-cyclopropyl-2-fluoroacetate
SMILESCCOC(=O)C(F)C1CC1
InChIInChI=1S/C7H11FO2/c1-2-10-7(9)6(8)5-3-4-5/h5-6H,2-4H2,1H3
InChIKeyDEZAAKRUOQSUFS-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-2-fluoroacetate?
The IUPAC name of ethyl 2-cyclopropyl-2-fluoroacetate (CID 171409758) is ethyl 2-cyclopropyl-2-fluoroacetate.
What is the SMILES notation for ethyl 2-cyclopropyl-2-fluoroacetate?
The canonical SMILES for ethyl 2-cyclopropyl-2-fluoroacetate is CCOC(=O)C(F)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-2-fluoroacetate?
The InChIKey is DEZAAKRUOQSUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c1-2-10-7(9)6(8)5-3-4-5/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-2-fluoroacetate?
ethyl 2-cyclopropyl-2-fluoroacetate 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-cyclopropyl-2-fluoroacetate is sourced from PubChem (CID 171409758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).