3-(3,5-difluoro-2-methoxyphenyl)propanoic acid

C10H10F2O3 — CID 57362911

IUPAC3-(3,5-difluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1c(F)cc(F)cc1CCC(=O)O
InChIInChI=1S/C10H10F2O3/c1-15-10-6(2-3-9(13)14)4-7(11)5-8(10)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyCFDNYIGTRFYOKF-UHFFFAOYSA-N
MW216.18 g/mol
LogP1.99
Rot. Bonds4

About 3-(3,5-difluoro-2-methoxyphenyl)propanoic acid

3-(3,5-difluoro-2-methoxyphenyl)propanoic acid (PubChem CID 57362911) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-difluoro-2-methoxyphenyl)propanoic acid
PubChem CID57362911
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name3-(3,5-difluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1c(F)cc(F)cc1CCC(=O)O
InChIInChI=1S/C10H10F2O3/c1-15-10-6(2-3-9(13)14)4-7(11)5-8(10)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyCFDNYIGTRFYOKF-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(3,5-difluoro-2-methoxyphenyl)propanoic acid (CID 57362911) is 3-(3,5-difluoro-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3,5-difluoro-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(3,5-difluoro-2-methoxyphenyl)propanoic acid is COc1c(F)cc(F)cc1CCC(=O)O.
What is the InChIKey of 3-(3,5-difluoro-2-methoxyphenyl)propanoic acid?
The InChIKey is CFDNYIGTRFYOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-15-10-6(2-3-9(13)14)4-7(11)5-8(10)12/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-(3,5-difluoro-2-methoxyphenyl)propanoic acid?
3-(3,5-difluoro-2-methoxyphenyl)propanoic acid has a molecular weight of 216.18 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 57362911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).