2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid

C8H5ClF2O3 — CID 117318816

IUPAC2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C8H5ClF2O3/c9-5-4(10)2-1-3(6(5)11)7(12)8(13)14/h1-2,7,12H,(H,13,14)
InChIKeyREGRPAGOCJGNRI-UHFFFAOYSA-N
MW222.57 g/mol
LogP1.74
Rot. Bonds2

About 2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid

2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid (PubChem CID 117318816) has the molecular formula C8H5ClF2O3 and a molecular weight of 222.57 g/mol. Its IUPAC name is 2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid
PubChem CID117318816
Molecular FormulaC8H5ClF2O3
Molecular Weight222.57 g/mol
Exact Mass221.99
IUPAC Name2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C8H5ClF2O3/c9-5-4(10)2-1-3(6(5)11)7(12)8(13)14/h1-2,7,12H,(H,13,14)
InChIKeyREGRPAGOCJGNRI-UHFFFAOYSA-N
XLogP1.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.57
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Mandelic Acid
CID 1292
(S)-mandelic acid
CID 439616
(-)-Mandelic acid
CID 11914
4-Chloromandelic acid
CID 10299
2-Chloromandelic acid
CID 97720
4-Fluoromandelic acid
CID 98068
2,4-Dichloromandelic acid
CID 24198
(-)-2-Chloromandelic acid
CID 2733641
(R)-2-(3-Chlorophenyl)-2-hydroxyacetic acid
CID 2733127
3-Chloromandelic acid
CID 85981
2-Fluoro-DL-mandelic Acid
CID 2783169
(R)-Mandelate
CID 5460269

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid (CID 117318816) is 2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(F)c(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid?
The InChIKey is REGRPAGOCJGNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O3/c9-5-4(10)2-1-3(6(5)11)7(12)8(13)14/h1-2,7,12H,(H,13,14).
What are the key properties of 2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid?
2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid has a molecular weight of 222.57 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,4-difluorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 117318816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).