(3R)-3-(2,3-difluorophenoxy)butanoic acid

C10H10F2O3 — CID 94985896

IUPAC(3R)-3-(2,3-difluorophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1cccc(F)c1F
InChIInChI=1S/C10H10F2O3/c1-6(5-9(13)14)15-8-4-2-3-7(11)10(8)12/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyRAVILMJIVKNCGI-ZCFIWIBFSA-N
MW216.18 g/mol
LogP2.21
Rot. Bonds4

About (3R)-3-(2,3-difluorophenoxy)butanoic acid

(3R)-3-(2,3-difluorophenoxy)butanoic acid (PubChem CID 94985896) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is (3R)-3-(2,3-difluorophenoxy)butanoic acid.

Molecular Properties

Compound Name(3R)-3-(2,3-difluorophenoxy)butanoic acid
PubChem CID94985896
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name(3R)-3-(2,3-difluorophenoxy)butanoic acid
SMILESC[C@H](CC(=O)O)Oc1cccc(F)c1F
InChIInChI=1S/C10H10F2O3/c1-6(5-9(13)14)15-8-4-2-3-7(11)10(8)12/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyRAVILMJIVKNCGI-ZCFIWIBFSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-(2,3-difluorophenoxy)butanoic 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

(3R)-3-(2-carbamoyl-3-fluorophenoxy)butanoic acid
CID 103547951
(3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid
CID 93219334
3-(2,3-dihydroxyphenoxy)butanoic acid
CID 42605052
3-(2,3-difluorophenoxy)butanimidamide
CID 114988073
3-(2,3-difluorophenoxy)-N'-hydroxybutanimidamide
CID 114990882
4-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64718485
2-(2,3-difluorophenoxy)propanamide
CID 63038540
4-(2,3-difluorophenoxy)pentan-2-amine
CID 64720911
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
4-(3-chloro-2-fluorophenoxy)pentan-2-one
CID 116689446
methyl 2-amino-4-(2,3-difluorophenoxy)-2-methylpentanoate
CID 64721367
(3R)-3-(2,3,5,6-tetrafluorophenoxy)butanoic acid
CID 103548238

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-difluorophenoxy)butanoic acid?
The IUPAC name of (3R)-3-(2,3-difluorophenoxy)butanoic acid (CID 94985896) is (3R)-3-(2,3-difluorophenoxy)butanoic acid.
What is the SMILES notation for (3R)-3-(2,3-difluorophenoxy)butanoic acid?
The canonical SMILES for (3R)-3-(2,3-difluorophenoxy)butanoic acid is C[C@H](CC(=O)O)Oc1cccc(F)c1F.
What is the InChIKey of (3R)-3-(2,3-difluorophenoxy)butanoic acid?
The InChIKey is RAVILMJIVKNCGI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-6(5-9(13)14)15-8-4-2-3-7(11)10(8)12/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (3R)-3-(2,3-difluorophenoxy)butanoic acid?
(3R)-3-(2,3-difluorophenoxy)butanoic acid has a molecular weight of 216.18 g/mol, XLogP of 2.21, 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-difluorophenoxy)butanoic acid is sourced from PubChem (CID 94985896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).