ethyl 2-(3-fluorooxan-4-yl)acetate

C9H15FO3 — CID 122360773

IUPACethyl 2-(3-fluorooxan-4-yl)acetate
SMILESCCOC(=O)CC1CCOCC1F
InChIInChI=1S/C9H15FO3/c1-2-13-9(11)5-7-3-4-12-6-8(7)10/h7-8H,2-6H2,1H3
InChIKeyYCUPJUWZBXCTGH-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.31
Rot. Bonds3

About ethyl 2-(3-fluorooxan-4-yl)acetate

ethyl 2-(3-fluorooxan-4-yl)acetate (PubChem CID 122360773) has the molecular formula C9H15FO3 and a molecular weight of 190.21 g/mol. Its IUPAC name is ethyl 2-(3-fluorooxan-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-fluorooxan-4-yl)acetate
PubChem CID122360773
Molecular FormulaC9H15FO3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Nameethyl 2-(3-fluorooxan-4-yl)acetate
SMILESCCOC(=O)CC1CCOCC1F
InChIInChI=1S/C9H15FO3/c1-2-13-9(11)5-7-3-4-12-6-8(7)10/h7-8H,2-6H2,1H3
InChIKeyYCUPJUWZBXCTGH-UHFFFAOYSA-N
XLogP1.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluorooxan-4-yl)acetate?
The IUPAC name of ethyl 2-(3-fluorooxan-4-yl)acetate (CID 122360773) is ethyl 2-(3-fluorooxan-4-yl)acetate.
What is the SMILES notation for ethyl 2-(3-fluorooxan-4-yl)acetate?
The canonical SMILES for ethyl 2-(3-fluorooxan-4-yl)acetate is CCOC(=O)CC1CCOCC1F.
What is the InChIKey of ethyl 2-(3-fluorooxan-4-yl)acetate?
The InChIKey is YCUPJUWZBXCTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3/c1-2-13-9(11)5-7-3-4-12-6-8(7)10/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 2-(3-fluorooxan-4-yl)acetate?
ethyl 2-(3-fluorooxan-4-yl)acetate has a molecular weight of 190.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluorooxan-4-yl)acetate is sourced from PubChem (CID 122360773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).