3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one

C10H15FO3 — CID 15488157

IUPAC3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one
SMILESCC(C)(C)OC1=C(F)C(=O)OC1(C)C
InChIInChI=1S/C10H15FO3/c1-9(2,3)13-7-6(11)8(12)14-10(7,4)5/h1-5H3
InChIKeyMGTHOUIWMLISPD-UHFFFAOYSA-N
MW202.22 g/mol
LogP2.32
Rot. Bonds1

About 3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one

3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one (PubChem CID 15488157) has the molecular formula C10H15FO3 and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one.

Molecular Properties

Compound Name3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one
PubChem CID15488157
Molecular FormulaC10H15FO3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one
SMILESCC(C)(C)OC1=C(F)C(=O)OC1(C)C
InChIInChI=1S/C10H15FO3/c1-9(2,3)13-7-6(11)8(12)14-10(7,4)5/h1-5H3
InChIKeyMGTHOUIWMLISPD-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

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
3-Fluoro-5,5-dimethyl-4-propoxyfuran-2-one
CID 15488154
InChI=1/C9H13FO3/c1-5(2)12-7-6(10)8(11)13-9(7,3)4/h5H,1-4H
CID 15488155
4-Butoxy-3-fluoro-5,5-dimethylfuran-2-one
CID 15488156
4-Methoxy-5,5-dimethylfuran-2-one
CID 12508475
4-Methoxy-3,5,5-trimethylfuran-2-one
CID 10866582
3,5,5-Trimethyl-4-sulfanyloxyfuran-2-one
CID 141886087
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-[(2-methylpropan-2-yl)oxy]furan-2-one?
The IUPAC name of 3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one (CID 15488157) is 3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one.
What is the SMILES notation for 3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one?
The canonical SMILES for 3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one is CC(C)(C)OC1=C(F)C(=O)OC1(C)C.
What is the InChIKey of 3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one?
The InChIKey is MGTHOUIWMLISPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO3/c1-9(2,3)13-7-6(11)8(12)14-10(7,4)5/h1-5H3.
What are the key properties of 3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one?
3-fluoro-5,5-dimethyl-4-[(2-methylpropan-2-yl)oxy]furan-2-one has a molecular weight of 202.22 g/mol, XLogP of 2.32, 1 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-[(2-methylpropan-2-yl)oxy]furan-2-one is sourced from PubChem (CID 15488157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).