3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid

C10H8ClF3O3 — CID 83920345

IUPAC3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)(c1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C10H8ClF3O3/c11-7-4-2-1-3-6(7)9(17,5-8(15)16)10(12,13)14/h1-4,17H,5H2,(H,15,16)
InChIKeyZABFXVFOGJVOKC-UHFFFAOYSA-N
MW268.62 g/mol
LogP2.56
Rot. Bonds3

About 3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid

3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid (PubChem CID 83920345) has the molecular formula C10H8ClF3O3 and a molecular weight of 268.62 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
PubChem CID83920345
Molecular FormulaC10H8ClF3O3
Molecular Weight268.62 g/mol
Exact Mass268.01
IUPAC Name3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid
SMILESO=C(O)CC(O)(c1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C10H8ClF3O3/c11-7-4-2-1-3-6(7)9(17,5-8(15)16)10(12,13)14/h1-4,17H,5H2,(H,15,16)
InChIKeyZABFXVFOGJVOKC-UHFFFAOYSA-N
XLogP2.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.62
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid (CID 83920345) is 3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid is O=C(O)CC(O)(c1ccccc1Cl)C(F)(F)F.
What is the InChIKey of 3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid?
The InChIKey is ZABFXVFOGJVOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3/c11-7-4-2-1-3-6(7)9(17,5-8(15)16)10(12,13)14/h1-4,17H,5H2,(H,15,16).
What are the key properties of 3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid?
3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid has a molecular weight of 268.62 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4,4,4-trifluoro-3-hydroxybutanoic acid is sourced from PubChem (CID 83920345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).