4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid

C12H8F2O3S — CID 66436676

IUPAC4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2cccc(F)c2F)cs1
InChIInChI=1S/C12H8F2O3S/c13-9-3-1-2-7(11(9)14)5-17-8-4-10(12(15)16)18-6-8/h1-4,6H,5H2,(H,15,16)
InChIKeyOVHSNOIRZFBGRY-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.30
Rot. Bonds4

About 4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid

4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66436676) has the molecular formula C12H8F2O3S and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid
PubChem CID66436676
Molecular FormulaC12H8F2O3S
Molecular Weight270.26 g/mol
Exact Mass270.02
IUPAC Name4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2cccc(F)c2F)cs1
InChIInChI=1S/C12H8F2O3S/c13-9-3-1-2-7(11(9)14)5-17-8-4-10(12(15)16)18-6-8/h1-4,6H,5H2,(H,15,16)
InChIKeyOVHSNOIRZFBGRY-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid (CID 66436676) is 4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid is O=C(O)c1cc(OCc2cccc(F)c2F)cs1.
What is the InChIKey of 4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is OVHSNOIRZFBGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O3S/c13-9-3-1-2-7(11(9)14)5-17-8-4-10(12(15)16)18-6-8/h1-4,6H,5H2,(H,15,16).
What are the key properties of 4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid?
4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-difluorophenyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66436676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).