2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid

C11H10ClF3O2 — CID 150151547

IUPAC2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid
SMILESCCCC(Cl)(C(=O)O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H10ClF3O2/c1-2-3-11(12,10(16)17)9-7(14)4-6(13)5-8(9)15/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyFFIVYRDVDHFDDN-UHFFFAOYSA-N
MW266.65 g/mol
LogP3.42
Rot. Bonds4

About 2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid

2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid (PubChem CID 150151547) has the molecular formula C11H10ClF3O2 and a molecular weight of 266.65 g/mol. Its IUPAC name is 2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid.

Molecular Properties

Compound Name2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid
PubChem CID150151547
Molecular FormulaC11H10ClF3O2
Molecular Weight266.65 g/mol
Exact Mass266.03
IUPAC Name2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid
SMILESCCCC(Cl)(C(=O)O)c1c(F)cc(F)cc1F
InChIInChI=1S/C11H10ClF3O2/c1-2-3-11(12,10(16)17)9-7(14)4-6(13)5-8(9)15/h4-5H,2-3H2,1H3,(H,16,17)
InChIKeyFFIVYRDVDHFDDN-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid?
The IUPAC name of 2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid (CID 150151547) is 2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid.
What is the SMILES notation for 2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid?
The canonical SMILES for 2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid is CCCC(Cl)(C(=O)O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid?
The InChIKey is FFIVYRDVDHFDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O2/c1-2-3-11(12,10(16)17)9-7(14)4-6(13)5-8(9)15/h4-5H,2-3H2,1H3,(H,16,17).
What are the key properties of 2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid?
2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid has a molecular weight of 266.65 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid is sourced from PubChem (CID 150151547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).