2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid

C8H13FO3 — CID 58564866

IUPAC2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid
SMILESCCC1(C(O)C(=O)O)CC(F)C1
InChIInChI=1S/C8H13FO3/c1-2-8(3-5(9)4-8)6(10)7(11)12/h5-6,10H,2-4H2,1H3,(H,11,12)
InChIKeyHBTJWDDBLRSSSZ-UHFFFAOYSA-N
MW176.19 g/mol
LogP0.96
Rot. Bonds3

About 2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid

2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid (PubChem CID 58564866) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid
PubChem CID58564866
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Name2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid
SMILESCCC1(C(O)C(=O)O)CC(F)C1
InChIInChI=1S/C8H13FO3/c1-2-8(3-5(9)4-8)6(10)7(11)12/h5-6,10H,2-4H2,1H3,(H,11,12)
InChIKeyHBTJWDDBLRSSSZ-UHFFFAOYSA-N
XLogP0.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid (CID 58564866) is 2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid is CCC1(C(O)C(=O)O)CC(F)C1.
What is the InChIKey of 2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid?
The InChIKey is HBTJWDDBLRSSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO3/c1-2-8(3-5(9)4-8)6(10)7(11)12/h5-6,10H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid?
2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid has a molecular weight of 176.19 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-fluorocyclobutyl)-2-hydroxyacetic acid is sourced from PubChem (CID 58564866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).