2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid

C9H2F8O3 — CID 14687563

IUPAC2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)c1c(O)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H2F8O3/c10-2-1(6(18)5(13)4(12)3(2)11)8(14,15)9(16,17)7(19)20/h18H,(H,19,20)
InChIKeyFUWJYWUQWIRHCP-UHFFFAOYSA-N
MW310.10 g/mol
LogP2.76
Rot. Bonds3

About 2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid

2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid (PubChem CID 14687563) has the molecular formula C9H2F8O3 and a molecular weight of 310.10 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid
PubChem CID14687563
Molecular FormulaC9H2F8O3
Molecular Weight310.10 g/mol
Exact Mass309.99
IUPAC Name2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)c1c(O)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H2F8O3/c10-2-1(6(18)5(13)4(12)3(2)11)8(14,15)9(16,17)7(19)20/h18H,(H,19,20)
InChIKeyFUWJYWUQWIRHCP-UHFFFAOYSA-N
XLogP2.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.10
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenol
CID 139749075
2,3,4,5,6-pentafluorophenol;2,2,2-trifluoroacetic acid
CID 86586943
2,2-bis(2,3,4,5,6-pentafluorophenyl)propanedioic acid
CID 150314160
2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol
CID 90973259
(2S)-2-amino-2,3,3-trifluoro-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
CID 155142224
2,3,4-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)-6-(trifluoromethyl)phenol
CID 139749074
2,3,4-trifluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-6-(trifluoromethyl)phenol
CID 139749065
benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol
CID 158155753
2,3,5,6-tetrafluoro-4-[1,2,2,2-tetrafluoro-1-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)ethyl]phenol
CID 22003363
4,4-difluoro-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid
CID 170903379
2,3,4,5,6-pentafluorophenol;hydrochloride
CID 172845059
CID 161433752
CID 161433752

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid (CID 14687563) is 2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid is O=C(O)C(F)(F)C(F)(F)c1c(O)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid?
The InChIKey is FUWJYWUQWIRHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F8O3/c10-2-1(6(18)5(13)4(12)3(2)11)8(14,15)9(16,17)7(19)20/h18H,(H,19,20).
What are the key properties of 2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid?
2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid has a molecular weight of 310.10 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-(2,3,4,5-tetrafluoro-6-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 14687563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).