2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid

C8H3ClF4O2 — CID 3418639

IUPAC2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid
SMILESO=C(O)Cc1c(F)c(F)c(Cl)c(F)c1F
InChIInChI=1S/C8H3ClF4O2/c9-4-7(12)5(10)2(1-3(14)15)6(11)8(4)13/h1H2,(H,14,15)
InChIKeyHZZUELHGZLVZRL-UHFFFAOYSA-N
MW242.55 g/mol
LogP2.52
Rot. Bonds2

About 2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid

2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid (PubChem CID 3418639) has the molecular formula C8H3ClF4O2 and a molecular weight of 242.55 g/mol. Its IUPAC name is 2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid
PubChem CID3418639
Molecular FormulaC8H3ClF4O2
Molecular Weight242.55 g/mol
Exact Mass241.98
IUPAC Name2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid
SMILESO=C(O)Cc1c(F)c(F)c(Cl)c(F)c1F
InChIInChI=1S/C8H3ClF4O2/c9-4-7(12)5(10)2(1-3(14)15)6(11)8(4)13/h1H2,(H,14,15)
InChIKeyHZZUELHGZLVZRL-UHFFFAOYSA-N
XLogP2.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.55
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid?
The IUPAC name of 2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid (CID 3418639) is 2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid.
What is the SMILES notation for 2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid?
The canonical SMILES for 2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid is O=C(O)Cc1c(F)c(F)c(Cl)c(F)c1F.
What is the InChIKey of 2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid?
The InChIKey is HZZUELHGZLVZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF4O2/c9-4-7(12)5(10)2(1-3(14)15)6(11)8(4)13/h1H2,(H,14,15).
What are the key properties of 2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid?
2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid has a molecular weight of 242.55 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3,5,6-tetrafluorophenyl)acetic acid is sourced from PubChem (CID 3418639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).