3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid

C11H17F3O3 — CID 79428293

IUPAC3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCC(CC(O)C(F)(F)F)(C(=O)O)C1
InChIInChI=1S/C11H17F3O3/c1-2-7-3-4-10(5-7,9(16)17)6-8(15)11(12,13)14/h7-8,15H,2-6H2,1H3,(H,16,17)
InChIKeyLOWDJZASOOCDAJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.58
Rot. Bonds4

About 3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid

3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid (PubChem CID 79428293) has the molecular formula C11H17F3O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid
PubChem CID79428293
Molecular FormulaC11H17F3O3
Molecular Weight254.25 g/mol
Exact Mass254.11
IUPAC Name3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCC(CC(O)C(F)(F)F)(C(=O)O)C1
InChIInChI=1S/C11H17F3O3/c1-2-7-3-4-10(5-7,9(16)17)6-8(15)11(12,13)14/h7-8,15H,2-6H2,1H3,(H,16,17)
InChIKeyLOWDJZASOOCDAJ-UHFFFAOYSA-N
XLogP2.58
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid (CID 79428293) is 3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid is CCC1CCC(CC(O)C(F)(F)F)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid?
The InChIKey is LOWDJZASOOCDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O3/c1-2-7-3-4-10(5-7,9(16)17)6-8(15)11(12,13)14/h7-8,15H,2-6H2,1H3,(H,16,17).
What are the key properties of 3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid?
3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79428293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).