6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one

C7H11F3O2 — CID 11063071

IUPAC6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one
SMILESCC(C)C(=O)CC(O)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-4(2)5(11)3-6(12)7(8,9)10/h4,6,12H,3H2,1-2H3
InChIKeyCGPJUEMPCQKGCN-UHFFFAOYSA-N
MW184.16 g/mol
LogP1.52
Rot. Bonds3

About 6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one

6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one (PubChem CID 11063071) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one.

Molecular Properties

Compound Name6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one
PubChem CID11063071
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one
SMILESCC(C)C(=O)CC(O)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-4(2)5(11)3-6(12)7(8,9)10/h4,6,12H,3H2,1-2H3
InChIKeyCGPJUEMPCQKGCN-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxy-5-methyl-2-hexanone
CID 256348
3-Hexanone, 5-hydroxy-2-methyl-
CID 536853
3-Hexanone, 6,6,6-trifluoro-5-hydroxy-2,2-dimethyl-
CID 11095585
1,1,1-Trifluoro-2-hydroxy-5-methylheptan-4-one
CID 44248367
(4S)-1-fluoro-4-hydroxy-5-methylhexan-2-one
CID 131181483
1,1,1-Trifluoro-6-hydroxyheptan-4-one
CID 134861057
2-Hexanone, 4-hydroxy-5-methyl-, (4R)-
CID 10997073
(S)-4-Hydroxy-5-methyl-2-hexanone
CID 11378504
4-(Hydroxymethyl)-hexan-3-one
CID 24976172
5-Hydroxy-6,6,6-trifluoro-3-hexanone
CID 10909978
1,1,1-Trifluoro-2-hydroxy-6-methylheptane-4-one
CID 13809369
5-Hydroxy-4-(trifluoromethyl)hexan-2-one
CID 13821817

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one?
The IUPAC name of 6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one (CID 11063071) is 6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one.
What is the SMILES notation for 6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one?
The canonical SMILES for 6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one is CC(C)C(=O)CC(O)C(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one?
The InChIKey is CGPJUEMPCQKGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-4(2)5(11)3-6(12)7(8,9)10/h4,6,12H,3H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one?
6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one has a molecular weight of 184.16 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-5-hydroxy-2-methylhexan-3-one is sourced from PubChem (CID 11063071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).