(2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid

C11H10ClFO3 — CID 138687037

IUPAC(2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(Cl)cc1/C=C/F)C(=O)O
InChIInChI=1S/C11H10ClFO3/c1-7(11(14)15)16-10-3-2-9(12)6-8(10)4-5-13/h2-7H,1H3,(H,14,15)/b5-4+/t7-/m0/s1
InChIKeyJMJUCHMWCKRWAX-KPJROHGDSA-N
MW244.65 g/mol
LogP3.13
Rot. Bonds4

About (2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid

(2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid (PubChem CID 138687037) has the molecular formula C11H10ClFO3 and a molecular weight of 244.65 g/mol. Its IUPAC name is (2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid
PubChem CID138687037
Molecular FormulaC11H10ClFO3
Molecular Weight244.65 g/mol
Exact Mass244.03
IUPAC Name(2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(Cl)cc1/C=C/F)C(=O)O
InChIInChI=1S/C11H10ClFO3/c1-7(11(14)15)16-10-3-2-9(12)6-8(10)4-5-13/h2-7H,1H3,(H,14,15)/b5-4+/t7-/m0/s1
InChIKeyJMJUCHMWCKRWAX-KPJROHGDSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
2-(2-chloro-5-fluorophenoxy)propanoic acid
CID 126975852
(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
CID 124566804
(E)-3-(5-chloro-2-propan-2-yloxyphenyl)prop-2-enoyl chloride
CID 102538031
(2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid
CID 138686156
2-(4-chloro-2-formylphenoxy)-N,N-dimethylpropanamide
CID 43141838
2-[4-bromo-2-[(E)-2-bromoethenyl]phenoxy]propanoic acid
CID 138686194
2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid
CID 67538273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid?
The IUPAC name of (2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid (CID 138687037) is (2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid is C[C@H](Oc1ccc(Cl)cc1/C=C/F)C(=O)O.
What is the InChIKey of (2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid?
The InChIKey is JMJUCHMWCKRWAX-KPJROHGDSA-N. The full InChI is InChI=1S/C11H10ClFO3/c1-7(11(14)15)16-10-3-2-9(12)6-8(10)4-5-13/h2-7H,1H3,(H,14,15)/b5-4+/t7-/m0/s1.
What are the key properties of (2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid?
(2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid has a molecular weight of 244.65 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid is sourced from PubChem (CID 138687037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).