(3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one

C7H11F3O2 — CID 166085309

IUPAC(3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one
SMILESCCC[C@@](O)(C(C)=O)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-3-4-6(12,5(2)11)7(8,9)10/h12H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyXTYUWDWPRZCBNN-ZCFIWIBFSA-N
MW184.16 g/mol
LogP1.67
Rot. Bonds3

About (3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one

(3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one (PubChem CID 166085309) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one
PubChem CID166085309
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name(3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one
SMILESCCC[C@@](O)(C(C)=O)C(F)(F)F
InChIInChI=1S/C7H11F3O2/c1-3-4-6(12,5(2)11)7(8,9)10/h12H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyXTYUWDWPRZCBNN-ZCFIWIBFSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one?
The IUPAC name of (3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one (CID 166085309) is (3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one is CCC[C@@](O)(C(C)=O)C(F)(F)F.
What is the InChIKey of (3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one?
The InChIKey is XTYUWDWPRZCBNN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11F3O2/c1-3-4-6(12,5(2)11)7(8,9)10/h12H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one?
(3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one has a molecular weight of 184.16 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-(trifluoromethyl)hexan-2-one is sourced from PubChem (CID 166085309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).