[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate

C11H14F6O4 — CID 58881422

IUPAC[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate
SMILESCCC(C)(F)C(=O)OC1(C)COC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C11H14F6O4/c1-4-7(2,12)6(18)21-8(3)5-20-10(19,9(8,13)14)11(15,16)17/h19H,4-5H2,1-3H3
InChIKeyGTUYTFGAYYQFIG-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.34
Rot. Bonds3

About [4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate

[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate (PubChem CID 58881422) has the molecular formula C11H14F6O4 and a molecular weight of 324.22 g/mol. Its IUPAC name is [4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate.

Molecular Properties

Compound Name[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate
PubChem CID58881422
Molecular FormulaC11H14F6O4
Molecular Weight324.22 g/mol
Exact Mass324.08
IUPAC Name[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate
SMILESCCC(C)(F)C(=O)OC1(C)COC(O)(C(F)(F)F)C1(F)F
InChIInChI=1S/C11H14F6O4/c1-4-7(2,12)6(18)21-8(3)5-20-10(19,9(8,13)14)11(15,16)17/h19H,4-5H2,1-3H3
InChIKeyGTUYTFGAYYQFIG-UHFFFAOYSA-N
XLogP2.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate?
The IUPAC name of [4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate (CID 58881422) is [4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate.
What is the SMILES notation for [4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate?
The canonical SMILES for [4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate is CCC(C)(F)C(=O)OC1(C)COC(O)(C(F)(F)F)C1(F)F.
What is the InChIKey of [4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate?
The InChIKey is GTUYTFGAYYQFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6O4/c1-4-7(2,12)6(18)21-8(3)5-20-10(19,9(8,13)14)11(15,16)17/h19H,4-5H2,1-3H3.
What are the key properties of [4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate?
[4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate has a molecular weight of 324.22 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-5-hydroxy-3-methyl-5-(trifluoromethyl)oxolan-3-yl] 2-fluoro-2-methylbutanoate is sourced from PubChem (CID 58881422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).