2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate

C16H13Cl2FO5 — CID 174896750

IUPAC2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate
SMILESO=C(CF)Oc1ccc(Cl)cc1.O=C(O)COc1ccc(Cl)cc1
InChIInChI=1S/C8H6ClFO2.C8H7ClO3/c9-6-1-3-7(4-2-6)12-8(11)5-10;9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2;1-4H,5H2,(H,10,11)
InChIKeySCXYRVPWJHLXDM-UHFFFAOYSA-N
MW375.18 g/mol
LogP4.02
Rot. Bonds5

About 2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate

2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate (PubChem CID 174896750) has the molecular formula C16H13Cl2FO5 and a molecular weight of 375.18 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate
PubChem CID174896750
Molecular FormulaC16H13Cl2FO5
Molecular Weight375.18 g/mol
Exact Mass374.01
IUPAC Name2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate
SMILESO=C(CF)Oc1ccc(Cl)cc1.O=C(O)COc1ccc(Cl)cc1
InChIInChI=1S/C8H6ClFO2.C8H7ClO3/c9-6-1-3-7(4-2-6)12-8(11)5-10;9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2;1-4H,5H2,(H,10,11)
InChIKeySCXYRVPWJHLXDM-UHFFFAOYSA-N
XLogP4.02
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
(4-chlorophenyl) 2-[4-[2-(4-chlorophenoxy)-2-oxoethoxy]phenoxy]acetate
CID 10503577
2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane
CID 174737533
(4-cyanophenyl) 2-(4-chlorophenoxy)acetate
CID 4810628
2-chloro-N,N-dimethylethanamine;2-(4-chlorophenoxy)acetic acid
CID 159778479
2-[4-[2-(4-chlorophenyl)acetyl]phenoxy]acetic acid
CID 167266699
(4-acetamidophenyl) 2-(4-chlorophenoxy)acetate
CID 4938690
(4-chlorophenyl) 2-methoxyacetate
CID 849221
2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
CID 82039313
2-(4-chlorophenoxy)acetyl iodide
CID 134255037
2-(7-chloronaphthalen-2-yl)oxyacetic acid
CID 154365176
disodium bis(2-(4-chlorophenoxy)acetate)
CID 141454820

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate?
The IUPAC name of 2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate (CID 174896750) is 2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate.
What is the SMILES notation for 2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate?
The canonical SMILES for 2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate is O=C(CF)Oc1ccc(Cl)cc1.O=C(O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate?
The InChIKey is SCXYRVPWJHLXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO2.C8H7ClO3/c9-6-1-3-7(4-2-6)12-8(11)5-10;9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2;1-4H,5H2,(H,10,11).
What are the key properties of 2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate?
2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate has a molecular weight of 375.18 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)acetic acid;(4-chlorophenyl) 2-fluoroacetate is sourced from PubChem (CID 174896750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).