(5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one

C10H11F3O3 — CID 15483293

IUPAC(5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one
SMILESCC(=O)C[C@@H](C)[C@@]1(C(F)(F)F)C=CC(=O)O1
InChIInChI=1S/C10H11F3O3/c1-6(5-7(2)14)9(10(11,12)13)4-3-8(15)16-9/h3-4,6H,5H2,1-2H3/t6-,9-/m1/s1
InChIKeyOAYVBDSTNPQUBF-HZGVNTEJSA-N
MW236.19 g/mol
LogP2.02
Rot. Bonds3

About (5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one

(5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one (PubChem CID 15483293) has the molecular formula C10H11F3O3 and a molecular weight of 236.19 g/mol. Its IUPAC name is (5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one
PubChem CID15483293
Molecular FormulaC10H11F3O3
Molecular Weight236.19 g/mol
Exact Mass236.07
IUPAC Name(5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one
SMILESCC(=O)C[C@@H](C)[C@@]1(C(F)(F)F)C=CC(=O)O1
InChIInChI=1S/C10H11F3O3/c1-6(5-7(2)14)9(10(11,12)13)4-3-8(15)16-9/h3-4,6H,5H2,1-2H3/t6-,9-/m1/s1
InChIKeyOAYVBDSTNPQUBF-HZGVNTEJSA-N
XLogP2.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Fluoro-1,5-dimethyl-4-oxocyclopent-2-en-1-yl) acetate
CID 70517526
2,2,3,3-Tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 141351515
4-Methyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione
CID 12166820
3-Methyl-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione
CID 12166821
(R)-5-methyl-5-((R)-2-oxoheptan-4-yl)furan-2(5H)-one
CID 86277938
(R)-5-ethyl-5-((R)-2-oxoheptan-4-yl)furan-2(5H)-one
CID 86277939
(R)-5-((R)-2-oxoheptan-4-yl)-5-propylfuran-2(5H)-one
CID 86277940
(R)-5-ethyl-5-((R)-2-methyl-6-oxoheptan-4-yl)furan-2(5H)-one
CID 86277954
(R)-5-methyl-5-((S)-2-oxoheptan-4-yl)furan-2(5H)-one
CID 86277978
(R)-5-ethyl-5-((S)-2-oxoheptan-4-yl)furan-2(5H)-one
CID 86277979
(R)-5-((S)-2-oxoheptan-4-yl)-5-propylfuran-2(5H)-one
CID 86277980
(R)-5-ethyl-5-((S)-2-methyl-6-oxoheptan-4-yl)furan-2(5H)-one
CID 86277994

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one?
The IUPAC name of (5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one (CID 15483293) is (5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one.
What is the SMILES notation for (5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one?
The canonical SMILES for (5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one is CC(=O)C[C@@H](C)[C@@]1(C(F)(F)F)C=CC(=O)O1.
What is the InChIKey of (5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one?
The InChIKey is OAYVBDSTNPQUBF-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H11F3O3/c1-6(5-7(2)14)9(10(11,12)13)4-3-8(15)16-9/h3-4,6H,5H2,1-2H3/t6-,9-/m1/s1.
What are the key properties of (5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one?
(5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one has a molecular weight of 236.19 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R)-4-oxopentan-2-yl]-5-(trifluoromethyl)furan-2-one is sourced from PubChem (CID 15483293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).