2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid

C8H8F2O3 — CID 166850727

IUPAC2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1C=C(F)C=C(F)C1
InChIInChI=1S/C8H8F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1,3-4,7,11H,2H2,(H,12,13)
InChIKeyJLQUXUCHPLXAKK-UHFFFAOYSA-N
MW190.14 g/mol
LogP1.16
Rot. Bonds2

About 2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid

2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid (PubChem CID 166850727) has the molecular formula C8H8F2O3 and a molecular weight of 190.14 g/mol. Its IUPAC name is 2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid
PubChem CID166850727
Molecular FormulaC8H8F2O3
Molecular Weight190.14 g/mol
Exact Mass190.04
IUPAC Name2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)C1C=C(F)C=C(F)C1
InChIInChI=1S/C8H8F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1,3-4,7,11H,2H2,(H,12,13)
InChIKeyJLQUXUCHPLXAKK-UHFFFAOYSA-N
XLogP1.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid (CID 166850727) is 2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid is O=C(O)C(O)C1C=C(F)C=C(F)C1.
What is the InChIKey of 2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid?
The InChIKey is JLQUXUCHPLXAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1,3-4,7,11H,2H2,(H,12,13).
What are the key properties of 2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid?
2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid has a molecular weight of 190.14 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 166850727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).