(2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid

C11H17F3O3 — CID 146517857

IUPAC(2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid
SMILESC=C(C)C[C@@H](CCCC(O)C(F)(F)F)C(=O)O
InChIInChI=1S/C11H17F3O3/c1-7(2)6-8(10(16)17)4-3-5-9(15)11(12,13)14/h8-9,15H,1,3-6H2,2H3,(H,16,17)/t8-,9?/m1/s1
InChIKeyHKGUTPOQHBPXNL-VEDVMXKPSA-N
MW254.25 g/mol
LogP2.75
Rot. Bonds7

About (2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid

(2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid (PubChem CID 146517857) has the molecular formula C11H17F3O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid.

Molecular Properties

Compound Name(2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid
PubChem CID146517857
Molecular FormulaC11H17F3O3
Molecular Weight254.25 g/mol
Exact Mass254.11
IUPAC Name(2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid
SMILESC=C(C)C[C@@H](CCCC(O)C(F)(F)F)C(=O)O
InChIInChI=1S/C11H17F3O3/c1-7(2)6-8(10(16)17)4-3-5-9(15)11(12,13)14/h8-9,15H,1,3-6H2,2H3,(H,16,17)/t8-,9?/m1/s1
InChIKeyHKGUTPOQHBPXNL-VEDVMXKPSA-N
XLogP2.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid?
The IUPAC name of (2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid (CID 146517857) is (2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid.
What is the SMILES notation for (2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid?
The canonical SMILES for (2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid is C=C(C)C[C@@H](CCCC(O)C(F)(F)F)C(=O)O.
What is the InChIKey of (2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid?
The InChIKey is HKGUTPOQHBPXNL-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H17F3O3/c1-7(2)6-8(10(16)17)4-3-5-9(15)11(12,13)14/h8-9,15H,1,3-6H2,2H3,(H,16,17)/t8-,9?/m1/s1.
What are the key properties of (2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid?
(2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid has a molecular weight of 254.25 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7,7,7-trifluoro-6-hydroxy-2-(2-methylprop-2-enyl)heptanoic acid is sourced from PubChem (CID 146517857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).