2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid

C6H5F2NO2S — CID 130882635

IUPAC2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
SMILESCc1cc(C(F)(F)C(=O)O)sn1
InChIInChI=1S/C6H5F2NO2S/c1-3-2-4(12-9-3)6(7,8)5(10)11/h2H,1H3,(H,10,11)
InChIKeyJVFOERMJBZXJKF-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.63
Rot. Bonds2

About 2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid

2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid (PubChem CID 130882635) has the molecular formula C6H5F2NO2S and a molecular weight of 193.17 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
PubChem CID130882635
Molecular FormulaC6H5F2NO2S
Molecular Weight193.17 g/mol
Exact Mass193.00
IUPAC Name2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid
SMILESCc1cc(C(F)(F)C(=O)O)sn1
InChIInChI=1S/C6H5F2NO2S/c1-3-2-4(12-9-3)6(7,8)5(10)11/h2H,1H3,(H,10,11)
InChIKeyJVFOERMJBZXJKF-UHFFFAOYSA-N
XLogP1.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid (CID 130882635) is 2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid is Cc1cc(C(F)(F)C(=O)O)sn1.
What is the InChIKey of 2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
The InChIKey is JVFOERMJBZXJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO2S/c1-3-2-4(12-9-3)6(7,8)5(10)11/h2H,1H3,(H,10,11).
What are the key properties of 2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid?
2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid has a molecular weight of 193.17 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-methyl-1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 130882635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).