4-(2,3,5,6-tetrafluorophenoxy)butanoic acid

C10H8F4O3 — CID 103288808

IUPAC4-(2,3,5,6-tetrafluorophenoxy)butanoic acid
SMILESO=C(O)CCCOc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H8F4O3/c11-5-4-6(12)9(14)10(8(5)13)17-3-1-2-7(15)16/h4H,1-3H2,(H,15,16)
InChIKeyQMSZVPKAYZIKAH-UHFFFAOYSA-N
MW252.16 g/mol
LogP2.49
Rot. Bonds5

About 4-(2,3,5,6-tetrafluorophenoxy)butanoic acid

4-(2,3,5,6-tetrafluorophenoxy)butanoic acid (PubChem CID 103288808) has the molecular formula C10H8F4O3 and a molecular weight of 252.16 g/mol. Its IUPAC name is 4-(2,3,5,6-tetrafluorophenoxy)butanoic acid.

Molecular Properties

Compound Name4-(2,3,5,6-tetrafluorophenoxy)butanoic acid
PubChem CID103288808
Molecular FormulaC10H8F4O3
Molecular Weight252.16 g/mol
Exact Mass252.04
IUPAC Name4-(2,3,5,6-tetrafluorophenoxy)butanoic acid
SMILESO=C(O)CCCOc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H8F4O3/c11-5-4-6(12)9(14)10(8(5)13)17-3-1-2-7(15)16/h4H,1-3H2,(H,15,16)
InChIKeyQMSZVPKAYZIKAH-UHFFFAOYSA-N
XLogP2.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-oxo-7-(2,3,5,6-tetrafluorophenoxy)heptanoic acid
CID 155090138
3-butoxy-1,2,4,5-tetrafluorobenzene
CID 22416140
6-(2,6-difluorophenoxy)hexanoic acid
CID 81269433
4-(2-chloro-6-fluorophenoxy)butanoic acid
CID 83051076
2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 2544338
N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine
CID 103290253
(E)-4-(2,3,5,6-tetrafluorophenoxy)but-2-enoic acid
CID 103288802
6-(2,3,5,6-tetrafluorophenoxy)hexane-1-sulfonyl chloride
CID 103290434
4-(3-fluoro-4-methoxyphenoxy)butanoic acid
CID 14661621
5-(2,4,6-triiodophenoxy)pentanoic acid
CID 43128706
4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid
CID 59134643
2-methyl-2-(methylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoic acid
CID 103290156

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6-tetrafluorophenoxy)butanoic acid?
The IUPAC name of 4-(2,3,5,6-tetrafluorophenoxy)butanoic acid (CID 103288808) is 4-(2,3,5,6-tetrafluorophenoxy)butanoic acid.
What is the SMILES notation for 4-(2,3,5,6-tetrafluorophenoxy)butanoic acid?
The canonical SMILES for 4-(2,3,5,6-tetrafluorophenoxy)butanoic acid is O=C(O)CCCOc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 4-(2,3,5,6-tetrafluorophenoxy)butanoic acid?
The InChIKey is QMSZVPKAYZIKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O3/c11-5-4-6(12)9(14)10(8(5)13)17-3-1-2-7(15)16/h4H,1-3H2,(H,15,16).
What are the key properties of 4-(2,3,5,6-tetrafluorophenoxy)butanoic acid?
4-(2,3,5,6-tetrafluorophenoxy)butanoic acid has a molecular weight of 252.16 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetrafluorophenoxy)butanoic acid is sourced from PubChem (CID 103288808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).