(4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one

C6H7F3O3 — CID 25323970

IUPAC(4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one
SMILESO=C1C[C@@](O)(C(F)(F)F)CCO1
InChIInChI=1S/C6H7F3O3/c7-6(8,9)5(11)1-2-12-4(10)3-5/h11H,1-3H2/t5-/m1/s1
InChIKeyVYHQZPKSTHSAFN-RXMQYKEDSA-N
MW184.11 g/mol
LogP0.62
Rot. Bonds

About (4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one

(4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one (PubChem CID 25323970) has the molecular formula C6H7F3O3 and a molecular weight of 184.11 g/mol. Its IUPAC name is (4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one
PubChem CID25323970
Molecular FormulaC6H7F3O3
Molecular Weight184.11 g/mol
Exact Mass184.03
IUPAC Name(4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one
SMILESO=C1C[C@@](O)(C(F)(F)F)CCO1
InChIInChI=1S/C6H7F3O3/c7-6(8,9)5(11)1-2-12-4(10)3-5/h11H,1-3H2/t5-/m1/s1
InChIKeyVYHQZPKSTHSAFN-RXMQYKEDSA-N
XLogP0.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one?
The IUPAC name of (4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one (CID 25323970) is (4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one.
What is the SMILES notation for (4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one?
The canonical SMILES for (4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one is O=C1C[C@@](O)(C(F)(F)F)CCO1.
What is the InChIKey of (4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one?
The InChIKey is VYHQZPKSTHSAFN-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H7F3O3/c7-6(8,9)5(11)1-2-12-4(10)3-5/h11H,1-3H2/t5-/m1/s1.
What are the key properties of (4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one?
(4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one has a molecular weight of 184.11 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-4-(trifluoromethyl)oxan-2-one is sourced from PubChem (CID 25323970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).