2-(4-fluorocyclohexyl)oxyacetic acid

C8H13FO3 — CID 84732095

IUPAC2-(4-fluorocyclohexyl)oxyacetic acid
SMILESO=C(O)COC1CCC(F)CC1
InChIInChI=1S/C8H13FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h6-7H,1-5H2,(H,10,11)
InChIKeyZIHFBDZQEIWJDP-UHFFFAOYSA-N
MW176.19 g/mol
LogP1.37
Rot. Bonds3

About 2-(4-fluorocyclohexyl)oxyacetic acid

2-(4-fluorocyclohexyl)oxyacetic acid (PubChem CID 84732095) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-(4-fluorocyclohexyl)oxyacetic acid.

Molecular Properties

Compound Name2-(4-fluorocyclohexyl)oxyacetic acid
PubChem CID84732095
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Name2-(4-fluorocyclohexyl)oxyacetic acid
SMILESO=C(O)COC1CCC(F)CC1
InChIInChI=1S/C8H13FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h6-7H,1-5H2,(H,10,11)
InChIKeyZIHFBDZQEIWJDP-UHFFFAOYSA-N
XLogP1.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexyl)oxyacetic acid?
The IUPAC name of 2-(4-fluorocyclohexyl)oxyacetic acid (CID 84732095) is 2-(4-fluorocyclohexyl)oxyacetic acid.
What is the SMILES notation for 2-(4-fluorocyclohexyl)oxyacetic acid?
The canonical SMILES for 2-(4-fluorocyclohexyl)oxyacetic acid is O=C(O)COC1CCC(F)CC1.
What is the InChIKey of 2-(4-fluorocyclohexyl)oxyacetic acid?
The InChIKey is ZIHFBDZQEIWJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h6-7H,1-5H2,(H,10,11).
What are the key properties of 2-(4-fluorocyclohexyl)oxyacetic acid?
2-(4-fluorocyclohexyl)oxyacetic acid has a molecular weight of 176.19 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexyl)oxyacetic acid is sourced from PubChem (CID 84732095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).