2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid

C9H7ClF2O2 — CID 171559889

IUPAC2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid
SMILESCC(F)(C(=O)O)c1cccc(Cl)c1F
InChIInChI=1S/C9H7ClF2O2/c1-9(12,8(13)14)5-3-2-4-6(10)7(5)11/h2-4H,1H3,(H,13,14)
InChIKeyYITDKPLBMGRFCV-UHFFFAOYSA-N
MW220.60 g/mol
LogP2.75
Rot. Bonds2

About 2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid

2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid (PubChem CID 171559889) has the molecular formula C9H7ClF2O2 and a molecular weight of 220.60 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid
PubChem CID171559889
Molecular FormulaC9H7ClF2O2
Molecular Weight220.60 g/mol
Exact Mass220.01
IUPAC Name2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid
SMILESCC(F)(C(=O)O)c1cccc(Cl)c1F
InChIInChI=1S/C9H7ClF2O2/c1-9(12,8(13)14)5-3-2-4-6(10)7(5)11/h2-4H,1H3,(H,13,14)
InChIKeyYITDKPLBMGRFCV-UHFFFAOYSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.60
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid (CID 171559889) is 2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid is CC(F)(C(=O)O)c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid?
The InChIKey is YITDKPLBMGRFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O2/c1-9(12,8(13)14)5-3-2-4-6(10)7(5)11/h2-4H,1H3,(H,13,14).
What are the key properties of 2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid?
2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid has a molecular weight of 220.60 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid is sourced from PubChem (CID 171559889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).