(2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid

C10H17F3O3 — CID 54379950

IUPAC(2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid
SMILESCC(C)CC(C(=O)O)[C@H](O)CCC(F)(F)F
InChIInChI=1S/C10H17F3O3/c1-6(2)5-7(9(15)16)8(14)3-4-10(11,12)13/h6-8,14H,3-5H2,1-2H3,(H,15,16)/t7?,8-/m1/s1
InChIKeyUZFCDZDEBSVTOP-BRFYHDHCSA-N
MW242.24 g/mol
LogP2.44
Rot. Bonds6

About (2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid

(2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid (PubChem CID 54379950) has the molecular formula C10H17F3O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is (2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid.

Molecular Properties

Compound Name(2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid
PubChem CID54379950
Molecular FormulaC10H17F3O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC Name(2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid
SMILESCC(C)CC(C(=O)O)[C@H](O)CCC(F)(F)F
InChIInChI=1S/C10H17F3O3/c1-6(2)5-7(9(15)16)8(14)3-4-10(11,12)13/h6-8,14H,3-5H2,1-2H3,(H,15,16)/t7?,8-/m1/s1
InChIKeyUZFCDZDEBSVTOP-BRFYHDHCSA-N
XLogP2.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid?
The IUPAC name of (2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid (CID 54379950) is (2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid.
What is the SMILES notation for (2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid?
The canonical SMILES for (2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid is CC(C)CC(C(=O)O)[C@H](O)CCC(F)(F)F.
What is the InChIKey of (2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid?
The InChIKey is UZFCDZDEBSVTOP-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H17F3O3/c1-6(2)5-7(9(15)16)8(14)3-4-10(11,12)13/h6-8,14H,3-5H2,1-2H3,(H,15,16)/t7?,8-/m1/s1.
What are the key properties of (2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid?
(2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid has a molecular weight of 242.24 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-6,6,6-trifluoro-3-hydroxy-2-(2-methylpropyl)hexanoic acid is sourced from PubChem (CID 54379950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).