(2-fluoro-4,5,6-trimethyloxan-3-yl) acetate

C10H17FO3 — CID 122607475

IUPAC(2-fluoro-4,5,6-trimethyloxan-3-yl) acetate
SMILESCC(=O)OC1C(F)OC(C)C(C)C1C
InChIInChI=1S/C10H17FO3/c1-5-6(2)9(14-8(4)12)10(11)13-7(5)3/h5-7,9-10H,1-4H3
InChIKeyFMWDFNAZJRHCRH-UHFFFAOYSA-N
MW204.24 g/mol
LogP1.90
Rot. Bonds1

About (2-fluoro-4,5,6-trimethyloxan-3-yl) acetate

(2-fluoro-4,5,6-trimethyloxan-3-yl) acetate (PubChem CID 122607475) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is (2-fluoro-4,5,6-trimethyloxan-3-yl) acetate.

Molecular Properties

Compound Name(2-fluoro-4,5,6-trimethyloxan-3-yl) acetate
PubChem CID122607475
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Name(2-fluoro-4,5,6-trimethyloxan-3-yl) acetate
SMILESCC(=O)OC1C(F)OC(C)C(C)C1C
InChIInChI=1S/C10H17FO3/c1-5-6(2)9(14-8(4)12)10(11)13-7(5)3/h5-7,9-10H,1-4H3
InChIKeyFMWDFNAZJRHCRH-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,5,6-trimethyloxan-3-yl) acetate?
The IUPAC name of (2-fluoro-4,5,6-trimethyloxan-3-yl) acetate (CID 122607475) is (2-fluoro-4,5,6-trimethyloxan-3-yl) acetate.
What is the SMILES notation for (2-fluoro-4,5,6-trimethyloxan-3-yl) acetate?
The canonical SMILES for (2-fluoro-4,5,6-trimethyloxan-3-yl) acetate is CC(=O)OC1C(F)OC(C)C(C)C1C.
What is the InChIKey of (2-fluoro-4,5,6-trimethyloxan-3-yl) acetate?
The InChIKey is FMWDFNAZJRHCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3/c1-5-6(2)9(14-8(4)12)10(11)13-7(5)3/h5-7,9-10H,1-4H3.
What are the key properties of (2-fluoro-4,5,6-trimethyloxan-3-yl) acetate?
(2-fluoro-4,5,6-trimethyloxan-3-yl) acetate has a molecular weight of 204.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,5,6-trimethyloxan-3-yl) acetate is sourced from PubChem (CID 122607475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).