2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid

C8H11FO3 — CID 163699936

IUPAC2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1CC=C(F)CC1
InChIInChI=1S/C8H11FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h3,5,7,10H,1-2,4H2,(H,11,12)
InChIKeyKACVVMIFKUCIAJ-UHFFFAOYSA-N
MW174.17 g/mol
LogP1.09
Rot. Bonds2

About 2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid

2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid (PubChem CID 163699936) has the molecular formula C8H11FO3 and a molecular weight of 174.17 g/mol. Its IUPAC name is 2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid
PubChem CID163699936
Molecular FormulaC8H11FO3
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Name2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1CC=C(F)CC1
InChIInChI=1S/C8H11FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h3,5,7,10H,1-2,4H2,(H,11,12)
InChIKeyKACVVMIFKUCIAJ-UHFFFAOYSA-N
XLogP1.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid (CID 163699936) is 2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid is O=C(O)C(O)C1CC=C(F)CC1.
What is the InChIKey of 2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid?
The InChIKey is KACVVMIFKUCIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h3,5,7,10H,1-2,4H2,(H,11,12).
What are the key properties of 2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid?
2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid has a molecular weight of 174.17 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohex-3-en-1-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 163699936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).