2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid

C9H15FO3 — CID 79367180

IUPAC2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid
SMILESCCC1CCC(O)(C(F)C(=O)O)C1
InChIInChI=1S/C9H15FO3/c1-2-6-3-4-9(13,5-6)7(10)8(11)12/h6-7,13H,2-5H2,1H3,(H,11,12)
InChIKeyZFZBFGVRYYSINJ-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.35
Rot. Bonds3

About 2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid

2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid (PubChem CID 79367180) has the molecular formula C9H15FO3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid
PubChem CID79367180
Molecular FormulaC9H15FO3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid
SMILESCCC1CCC(O)(C(F)C(=O)O)C1
InChIInChI=1S/C9H15FO3/c1-2-6-3-4-9(13,5-6)7(10)8(11)12/h6-7,13H,2-5H2,1H3,(H,11,12)
InChIKeyZFZBFGVRYYSINJ-UHFFFAOYSA-N
XLogP1.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid?
The IUPAC name of 2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid (CID 79367180) is 2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid?
The canonical SMILES for 2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid is CCC1CCC(O)(C(F)C(=O)O)C1.
What is the InChIKey of 2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid?
The InChIKey is ZFZBFGVRYYSINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3/c1-2-6-3-4-9(13,5-6)7(10)8(11)12/h6-7,13H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid?
2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid has a molecular weight of 190.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-hydroxycyclopentyl)-2-fluoroacetic acid is sourced from PubChem (CID 79367180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).