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

C8H4F4O2 — CID 18625682

IUPAC2-(2,3,4,5-tetrafluorophenyl)acetic acid
SMILESO=C(O)Cc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H4F4O2/c9-4-1-3(2-5(13)14)6(10)8(12)7(4)11/h1H,2H2,(H,13,14)
InChIKeyYCVZGEGNCVLVBM-UHFFFAOYSA-N
MW208.11 g/mol
LogP1.87
Rot. Bonds2

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

2-(2,3,4,5-tetrafluorophenyl)acetic acid (PubChem CID 18625682) has the molecular formula C8H4F4O2 and a molecular weight of 208.11 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrafluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2,3,4,5-tetrafluorophenyl)acetic acid
PubChem CID18625682
Molecular FormulaC8H4F4O2
Molecular Weight208.11 g/mol
Exact Mass208.01
IUPAC Name2-(2,3,4,5-tetrafluorophenyl)acetic acid
SMILESO=C(O)Cc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H4F4O2/c9-4-1-3(2-5(13)14)6(10)8(12)7(4)11/h1H,2H2,(H,13,14)
InChIKeyYCVZGEGNCVLVBM-UHFFFAOYSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.11
LogP ≤ 51.87
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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Related Compounds

2-(2,3,4,5-tetrafluorophenyl)ethanol
CID 55267980
2,3,6-trifluoro-4-(2-oxopropyl)benzoic acid
CID 117335713
2-(3-bromo-2,5,6-trifluorophenyl)acetic acid
CID 117111600
1-(3-bromo-2,4,5-trifluorophenyl)propan-2-one
CID 117115023
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
bis[(2,3,4,5-tetrafluorophenyl)methyl] (2Z,4Z)-hexa-2,4-dienedioate
CID 102275443
2-(3,5-dibromo-2-fluorophenyl)acetic acid
CID 2773982
2-(3,5-dibromo-2,4-difluorophenyl)acetic acid
CID 121227978
2-(2,5-difluoro-3-methylphenyl)acetic acid
CID 118999566
2-(4-bromo-6,7-difluoro-1-benzofuran-3-yl)acetic acid
CID 107100695
2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid
CID 83898337
2-(5-ethyl-2,4-difluorophenyl)acetic acid
CID 117289054

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrafluorophenyl)acetic acid?
The IUPAC name of 2-(2,3,4,5-tetrafluorophenyl)acetic acid (CID 18625682) is 2-(2,3,4,5-tetrafluorophenyl)acetic acid.
What is the SMILES notation for 2-(2,3,4,5-tetrafluorophenyl)acetic acid?
The canonical SMILES for 2-(2,3,4,5-tetrafluorophenyl)acetic acid is O=C(O)Cc1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5-tetrafluorophenyl)acetic acid?
The InChIKey is YCVZGEGNCVLVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4O2/c9-4-1-3(2-5(13)14)6(10)8(12)7(4)11/h1H,2H2,(H,13,14).
What are the key properties of 2-(2,3,4,5-tetrafluorophenyl)acetic acid?
2-(2,3,4,5-tetrafluorophenyl)acetic acid has a molecular weight of 208.11 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrafluorophenyl)acetic acid is sourced from PubChem (CID 18625682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).