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

C10H8F4O3 — CID 103548238

IUPAC(3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H8F4O3/c1-4(2-7(15)16)17-10-8(13)5(11)3-6(12)9(10)14/h3-4H,2H2,1H3,(H,15,16)/t4-/m1/s1
InChIKeyREXYVEHFMGVNHX-SCSAIBSYSA-N
MW252.16 g/mol
LogP2.48
Rot. Bonds4

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

(3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid (PubChem CID 103548238) has the molecular formula C10H8F4O3 and a molecular weight of 252.16 g/mol. Its IUPAC name is (3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid
PubChem CID103548238
Molecular FormulaC10H8F4O3
Molecular Weight252.16 g/mol
Exact Mass252.04
IUPAC Name(3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C10H8F4O3/c1-4(2-7(15)16)17-10-8(13)5(11)3-6(12)9(10)14/h3-4H,2H2,1H3,(H,15,16)/t4-/m1/s1
InChIKeyREXYVEHFMGVNHX-SCSAIBSYSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.16
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(2,3-difluorophenoxy)butanoic acid
CID 94985896
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
CID 103548134
(3R)-3-(2,6-dibromophenoxy)butanoic acid
CID 103547748
(3R)-3-(4-acetyl-3-fluorophenoxy)butanoic acid
CID 107714469
4-methyl-1-(2,3,5,6-tetrafluorophenoxy)pentan-2-one
CID 142460459
ethyl 2-fluoro-2-(2,3,5,6-tetrafluorophenoxy)acetate
CID 103288804
3-methoxy-3-oxo-2-(2,3,5,6-tetrafluorophenoxy)propanoic acid
CID 59256880
(3S)-3-(4-bromo-3,5-dimethylphenoxy)butanoic acid
CID 107722370
3-(3-fluoro-4-nitrophenoxy)butanoic acid
CID 115000279
3-amino-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoic acid
CID 117115911
(3R)-3-(2-bromo-4-chlorophenoxy)butanoic acid
CID 103547713
(3R)-3-(2,5-dibromo-4-methoxyphenoxy)butanoic acid
CID 103548086

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid?
The IUPAC name of (3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid (CID 103548238) is (3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid.
What is the SMILES notation for (3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid?
The canonical SMILES for (3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid is C[C@H](CC(=O)O)Oc1c(F)c(F)cc(F)c1F.
What is the InChIKey of (3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid?
The InChIKey is REXYVEHFMGVNHX-SCSAIBSYSA-N. The full InChI is InChI=1S/C10H8F4O3/c1-4(2-7(15)16)17-10-8(13)5(11)3-6(12)9(10)14/h3-4H,2H2,1H3,(H,15,16)/t4-/m1/s1.
What are the key properties of (3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid?
(3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid has a molecular weight of 252.16 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid is sourced from PubChem (CID 103548238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).