2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid

C10H9ClF2O3 — CID 83223794

IUPAC2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid
SMILESO=C(O)C(OCCCl)c1cc(F)ccc1F
InChIInChI=1S/C10H9ClF2O3/c11-3-4-16-9(10(14)15)7-5-6(12)1-2-8(7)13/h1-2,5,9H,3-4H2,(H,14,15)
InChIKeyDHYLLBZSXVNUPL-UHFFFAOYSA-N
MW250.63 g/mol
LogP2.35
Rot. Bonds5

About 2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid

2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid (PubChem CID 83223794) has the molecular formula C10H9ClF2O3 and a molecular weight of 250.63 g/mol. Its IUPAC name is 2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid
PubChem CID83223794
Molecular FormulaC10H9ClF2O3
Molecular Weight250.63 g/mol
Exact Mass250.02
IUPAC Name2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid
SMILESO=C(O)C(OCCCl)c1cc(F)ccc1F
InChIInChI=1S/C10H9ClF2O3/c11-3-4-16-9(10(14)15)7-5-6(12)1-2-8(7)13/h1-2,5,9H,3-4H2,(H,14,15)
InChIKeyDHYLLBZSXVNUPL-UHFFFAOYSA-N
XLogP2.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethoxy)-2-(3,4,5-trifluorophenyl)acetic acid
CID 67067400
2-(2-chloroethoxy)-2-(4-chlorophenyl)acetic acid
CID 83223627
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid
CID 114868069
methyl 2-(2,5-difluorophenyl)propanoate
CID 62801922
(S)-diethoxyphosphoryl-(2,5-difluorophenyl)methanamine
CID 171191756
2-amino-3-(2,5-difluorophenyl)butanoic acid
CID 83909955
2-(3-chloro-4-fluorophenyl)-2-(3-hydroxypropoxy)acetic acid
CID 83224161
2-(3-fluorophenyl)-2-propoxyacetic acid
CID 83224812
4-(2,5-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414806
5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
CID 43117843
(2R)-2-ethoxy-2-(2,4,5-trifluorophenyl)acetic acid
CID 90729397

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid?
The IUPAC name of 2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid (CID 83223794) is 2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid.
What is the SMILES notation for 2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid?
The canonical SMILES for 2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid is O=C(O)C(OCCCl)c1cc(F)ccc1F.
What is the InChIKey of 2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid?
The InChIKey is DHYLLBZSXVNUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O3/c11-3-4-16-9(10(14)15)7-5-6(12)1-2-8(7)13/h1-2,5,9H,3-4H2,(H,14,15).
What are the key properties of 2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid?
2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid has a molecular weight of 250.63 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)-2-(2,5-difluorophenyl)acetic acid is sourced from PubChem (CID 83223794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).