2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid

C7H7F2NO3S — CID 165466806

IUPAC2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid
SMILESCOc1cc(CC(F)(F)C(=O)O)sn1
InChIInChI=1S/C7H7F2NO3S/c1-13-5-2-4(14-10-5)3-7(8,9)6(11)12/h2H,3H2,1H3,(H,11,12)
InChIKeyLTZCDGZOZCURQE-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.41
Rot. Bonds4

About 2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid

2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid (PubChem CID 165466806) has the molecular formula C7H7F2NO3S and a molecular weight of 223.20 g/mol. Its IUPAC name is 2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid
PubChem CID165466806
Molecular FormulaC7H7F2NO3S
Molecular Weight223.20 g/mol
Exact Mass223.01
IUPAC Name2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid
SMILESCOc1cc(CC(F)(F)C(=O)O)sn1
InChIInChI=1S/C7H7F2NO3S/c1-13-5-2-4(14-10-5)3-7(8,9)6(11)12/h2H,3H2,1H3,(H,11,12)
InChIKeyLTZCDGZOZCURQE-UHFFFAOYSA-N
XLogP1.41
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid (CID 165466806) is 2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid is COc1cc(CC(F)(F)C(=O)O)sn1.
What is the InChIKey of 2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid?
The InChIKey is LTZCDGZOZCURQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO3S/c1-13-5-2-4(14-10-5)3-7(8,9)6(11)12/h2H,3H2,1H3,(H,11,12).
What are the key properties of 2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid?
2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid has a molecular weight of 223.20 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(3-methoxy-1,2-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 165466806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).