(5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one

C7H12F2O2 — CID 118181583

IUPAC(5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one
SMILESCC(=O)C(F)(F)C[C@@H](C)CO
InChIInChI=1S/C7H12F2O2/c1-5(4-10)3-7(8,9)6(2)11/h5,10H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyYCJUURJLWSYKHP-RXMQYKEDSA-N
MW166.17 g/mol
LogP1.23
Rot. Bonds4

About (5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one

(5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one (PubChem CID 118181583) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is (5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one.

Molecular Properties

Compound Name(5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one
PubChem CID118181583
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name(5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one
SMILESCC(=O)C(F)(F)C[C@@H](C)CO
InChIInChI=1S/C7H12F2O2/c1-5(4-10)3-7(8,9)6(2)11/h5,10H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyYCJUURJLWSYKHP-RXMQYKEDSA-N
XLogP1.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-5-hydroxy-6,6,6-trifluoro-3-hexanone
CID 11063071
6-Hydroxy-5-methyl-2-hexanone
CID 10877153
5-Hydroxy-4-(trifluoromethyl)hexan-2-one
CID 13821817
1,1,1-Trifluoro-6-hydroxyhexane-2-one
CID 22162622
(4R)-1,1,1-trifluoro-7-hydroxy-4-methylheptan-2-one
CID 58080854
Butan-1-ol;1,1,1-trifluoro-5-methylhexane-2,4-dione
CID 87451930
4,6-Dihydroxy-4-(trifluoromethyl)hexan-2-one
CID 89804267
3,6-Difluoro-6-hydroxyhexan-2-one
CID 156105592
1-[3-Fluoro-3-(hydroxymethyl)cyclobutyl]ethanone
CID 176833409
5-Fluoro-6-hydroxyhexan-2-one
CID 13901636
3,3-Difluoro-6-hydroxyhexan-2-one
CID 45119019
7,7,7-Trifluoro-6-hydroxy-4-methylheptan-3-one
CID 79417260

Frequently Asked Questions

What is the IUPAC name of (5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one?
The IUPAC name of (5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one (CID 118181583) is (5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one.
What is the SMILES notation for (5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one?
The canonical SMILES for (5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one is CC(=O)C(F)(F)C[C@@H](C)CO.
What is the InChIKey of (5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one?
The InChIKey is YCJUURJLWSYKHP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-5(4-10)3-7(8,9)6(2)11/h5,10H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one?
(5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one has a molecular weight of 166.17 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,3-difluoro-6-hydroxy-5-methylhexan-2-one is sourced from PubChem (CID 118181583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).