2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid

C8H7FO3 — CID 71316857

IUPAC2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid
SMILES[2H]c1c([2H])c(OCC(=O)O)c([2H])c([2H])c1F
InChIInChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)/i1D,2D,3D,4D
InChIKeyZBIULCVFFJJYTN-RHQRLBAQSA-N
MW174.16 g/mol
LogP1.29
Rot. Bonds3

About 2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid

2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid (PubChem CID 71316857) has the molecular formula C8H7FO3 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid.

Molecular Properties

Compound Name2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid
PubChem CID71316857
Molecular FormulaC8H7FO3
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid
SMILES[2H]c1c([2H])c(OCC(=O)O)c([2H])c([2H])c1F
InChIInChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)/i1D,2D,3D,4D
InChIKeyZBIULCVFFJJYTN-RHQRLBAQSA-N
XLogP1.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
2-(3-chloro-5-fluorophenoxy)acetic acid
CID 23273755
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
2-(4-phosphanylphenoxy)acetic acid
CID 143227716
2-[4-(2,5-difluorophenyl)phenoxy]acetic acid
CID 82039119
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
2-phenoxyacetic acid;titanium
CID 174896747
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-[4-[2-[(4-fluorophenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetic acid
CID 10249487
2-[4-(phosphanylmethyl)phenoxy]acetic acid
CID 144578050
ethane;2-(4-sulfanylphenoxy)acetic acid
CID 69456856

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid?
The IUPAC name of 2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid (CID 71316857) is 2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid.
What is the SMILES notation for 2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid?
The canonical SMILES for 2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid is [2H]c1c([2H])c(OCC(=O)O)c([2H])c([2H])c1F.
What is the InChIKey of 2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid?
The InChIKey is ZBIULCVFFJJYTN-RHQRLBAQSA-N. The full InChI is InChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)/i1D,2D,3D,4D.
What are the key properties of 2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid?
2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid has a molecular weight of 174.16 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetradeuterio-4-fluorophenoxy)acetic acid is sourced from PubChem (CID 71316857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).