2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid

C8H6ClFO3 — CID 79021854

IUPAC2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H6ClFO3/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChIKeySUFHYSIEHMZFOM-UHFFFAOYSA-N
MW204.58 g/mol
LogP1.60
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid

2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid (PubChem CID 79021854) has the molecular formula C8H6ClFO3 and a molecular weight of 204.58 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid
PubChem CID79021854
Molecular FormulaC8H6ClFO3
Molecular Weight204.58 g/mol
Exact Mass204.00
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H6ClFO3/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChIKeySUFHYSIEHMZFOM-UHFFFAOYSA-N
XLogP1.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.58
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
3-Chloro-2-fluorobenzoic acid
CID 302931
3-Chloro-4-fluorobenzoic acid
CID 520989
5-Chloro-2-fluorobenzoic acid
CID 2736537
2,4-Dichloromandelic acid
CID 24198
(-)-2-Chloromandelic acid
CID 2733641
(R)-2-(3-Chlorophenyl)-2-hydroxyacetic acid
CID 2733127

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid (CID 79021854) is 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid?
The InChIKey is SUFHYSIEHMZFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO3/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7,11H,(H,12,13).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid?
2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid has a molecular weight of 204.58 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 79021854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).