2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid

C13H15F3O2 — CID 79426124

IUPAC2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
SMILESCCC(CCC(F)(F)F)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H15F3O2/c1-2-12(11(17)18,8-9-13(14,15)16)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,18)
InChIKeyUINRIYCBOBPXSI-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.76
Rot. Bonds5

About 2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid

2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid (PubChem CID 79426124) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid.

Molecular Properties

Compound Name2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
PubChem CID79426124
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid
SMILESCCC(CCC(F)(F)F)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H15F3O2/c1-2-12(11(17)18,8-9-13(14,15)16)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,18)
InChIKeyUINRIYCBOBPXSI-UHFFFAOYSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-carboxy-3-phenylpentyl)-methylazanium
CID 143227048
2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
2-ethyl-2-phenyldecanedioic acid
CID 159619008
4-ethyl-4-phenylhexan-3-one
CID 63083231
2-(aminomethyl)-5,5,5-trifluoro-2-(2-methylphenyl)pentanoic acid
CID 106509167
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
2-butyl-2-phenylpentanedioic acid
CID 67892428
2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 63541225
2-[(2-chloro-3-fluorophenyl)methyl]-2-phenylbutanoic acid
CID 115983256
ethyl 2-(aminomethyl)-6,6,6-trifluoro-2-phenylhexanoate
CID 106509552
2-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]butanoic acid;hydrochloride
CID 69068250
2-phenyl-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 60997859

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid?
The IUPAC name of 2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid (CID 79426124) is 2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid.
What is the SMILES notation for 2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid?
The canonical SMILES for 2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid is CCC(CCC(F)(F)F)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid?
The InChIKey is UINRIYCBOBPXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c1-2-12(11(17)18,8-9-13(14,15)16)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,18).
What are the key properties of 2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid?
2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid has a molecular weight of 260.25 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5,5-trifluoro-2-phenylpentanoic acid is sourced from PubChem (CID 79426124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).