3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one

C9H13FO3 — CID 15488154

IUPAC3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one
SMILESCCCOC1=C(F)C(=O)OC1(C)C
InChIInChI=1S/C9H13FO3/c1-4-5-12-7-6(10)8(11)13-9(7,2)3/h4-5H2,1-3H3
InChIKeyIYFCILYWXVKFDL-UHFFFAOYSA-N
MW188.20 g/mol
LogP1.93
Rot. Bonds3

About 3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one

3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one (PubChem CID 15488154) has the molecular formula C9H13FO3 and a molecular weight of 188.20 g/mol. Its IUPAC name is 3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one.

Molecular Properties

Compound Name3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one
PubChem CID15488154
Molecular FormulaC9H13FO3
Molecular Weight188.20 g/mol
Exact Mass188.08
IUPAC Name3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one
SMILESCCCOC1=C(F)C(=O)OC1(C)C
InChIInChI=1S/C9H13FO3/c1-4-5-12-7-6(10)8(11)13-9(7,2)3/h4-5H2,1-3H3
InChIKeyIYFCILYWXVKFDL-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Fluoro-4-methoxy-5,5-dimethylfuran-2(5H)-one
CID 15488152
InChI=1/C8H11FO3/c1-4-11-6-5(9)7(10)12-8(6,2)3/h4H2,1-3H
CID 15488153
InChI=1/C9H13FO3/c1-5(2)12-7-6(10)8(11)13-9(7,3)4/h5H,1-4H
CID 15488155
InChI=1/C10H15FO3/c1-9(2,3)13-7-6(11)8(12)14-10(7,4)5/h1-5H
CID 15488157
4-Butoxy-3-fluoro-5,5-dimethylfuran-2-one
CID 15488156
4-Methoxy-5,5-dimethylfuran-2-one
CID 12508475
2(5H)-Furanone, 4-(acetyloxy)-3,5-dimethyl-
CID 536096
4-Methoxy-3,5,5-trimethylfuran-2-one
CID 10866582
(2S)-3-methoxy-2,4-dimethyl-2H-furan-5-one
CID 58831740
3-methoxy-2,4-dimethyl-2H-furan-5-one
CID 12814971
4-Ethoxy-5,5-dimethylfuran-2(5H)-one
CID 13209945
(2,2,4-Trimethyl-5-oxofuran-3-yl) acetate
CID 23253914

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one?
The IUPAC name of 3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one (CID 15488154) is 3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one.
What is the SMILES notation for 3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one?
The canonical SMILES for 3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one is CCCOC1=C(F)C(=O)OC1(C)C.
What is the InChIKey of 3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one?
The InChIKey is IYFCILYWXVKFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO3/c1-4-5-12-7-6(10)8(11)13-9(7,2)3/h4-5H2,1-3H3.
What are the key properties of 3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one?
3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one has a molecular weight of 188.20 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5,5-dimethyl-4-propoxyfuran-2-one is sourced from PubChem (CID 15488154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).