oxan-2-yl 2-fluoro-2-methylpropanoate

C9H15FO3 — CID 90142713

IUPACoxan-2-yl 2-fluoro-2-methylpropanoate
SMILESCC(C)(F)C(=O)OC1CCCCO1
InChIInChI=1S/C9H15FO3/c1-9(2,10)8(11)13-7-5-3-4-6-12-7/h7H,3-6H2,1-2H3
InChIKeyBDJMAFXQHKWLLL-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.80
Rot. Bonds2

About oxan-2-yl 2-fluoro-2-methylpropanoate

oxan-2-yl 2-fluoro-2-methylpropanoate (PubChem CID 90142713) has the molecular formula C9H15FO3 and a molecular weight of 190.21 g/mol. Its IUPAC name is oxan-2-yl 2-fluoro-2-methylpropanoate.

Molecular Properties

Compound Nameoxan-2-yl 2-fluoro-2-methylpropanoate
PubChem CID90142713
Molecular FormulaC9H15FO3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Nameoxan-2-yl 2-fluoro-2-methylpropanoate
SMILESCC(C)(F)C(=O)OC1CCCCO1
InChIInChI=1S/C9H15FO3/c1-9(2,10)8(11)13-7-5-3-4-6-12-7/h7H,3-6H2,1-2H3
InChIKeyBDJMAFXQHKWLLL-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze oxan-2-yl 2-fluoro-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 2-fluoro-2-methylpropanoate?
The IUPAC name of oxan-2-yl 2-fluoro-2-methylpropanoate (CID 90142713) is oxan-2-yl 2-fluoro-2-methylpropanoate.
What is the SMILES notation for oxan-2-yl 2-fluoro-2-methylpropanoate?
The canonical SMILES for oxan-2-yl 2-fluoro-2-methylpropanoate is CC(C)(F)C(=O)OC1CCCCO1.
What is the InChIKey of oxan-2-yl 2-fluoro-2-methylpropanoate?
The InChIKey is BDJMAFXQHKWLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3/c1-9(2,10)8(11)13-7-5-3-4-6-12-7/h7H,3-6H2,1-2H3.
What are the key properties of oxan-2-yl 2-fluoro-2-methylpropanoate?
oxan-2-yl 2-fluoro-2-methylpropanoate has a molecular weight of 190.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 2-fluoro-2-methylpropanoate is sourced from PubChem (CID 90142713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).