(5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one

C12H13F3O2 — CID 684565

IUPAC(5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one
SMILESCCC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H13F3O2/c1-2-10(16)8-11(17,12(13,14)15)9-6-4-3-5-7-9/h3-7,17H,2,8H2,1H3/t11-/m1/s1
InChIKeyQCVZPLFWQXHAKD-LLVKDONJSA-N
MW246.23 g/mol
LogP2.81
Rot. Bonds4

About (5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one

(5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one (PubChem CID 684565) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is (5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one.

Molecular Properties

Compound Name(5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one
PubChem CID684565
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name(5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one
SMILESCCC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C12H13F3O2/c1-2-10(16)8-11(17,12(13,14)15)9-6-4-3-5-7-9/h3-7,17H,2,8H2,1H3/t11-/m1/s1
InChIKeyQCVZPLFWQXHAKD-LLVKDONJSA-N
XLogP2.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 223673
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Stk329392
CID 11041240
(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one
CID 5290861
6,6,7,7-Tetrafluoro-5-hydroxy-1,5-diphenyl-1-hepten-3-one
CID 5290862
3-[alpha-Hydroxy-4-(trifluoromethyl)benzyl]-3-butene-2-one
CID 9859651
1,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-3-phenyl-2,6-bis(trifluoromethyl)heptan-4-one
CID 59101
Ethyl 3-hydroxy-3-phenylbutanoate
CID 220801
3,3,3-Trifluoro-2-hydroxy-2-phenylpropanoic acid
CID 9855943
3-Hydroxy-3-phenylbutan-2-one
CID 233220
3-Hydroxy-3-phenylpentanoic acid
CID 297250

Frequently Asked Questions

What is the IUPAC name of (5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one?
The IUPAC name of (5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one (CID 684565) is (5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one.
What is the SMILES notation for (5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one?
The canonical SMILES for (5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one is CCC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one?
The InChIKey is QCVZPLFWQXHAKD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13F3O2/c1-2-10(16)8-11(17,12(13,14)15)9-6-4-3-5-7-9/h3-7,17H,2,8H2,1H3/t11-/m1/s1.
What are the key properties of (5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one?
(5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one has a molecular weight of 246.23 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6,6,6-trifluoro-5-hydroxy-5-phenylhexan-3-one is sourced from PubChem (CID 684565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).