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

C6H5F2NO3S — CID 127020002

IUPAC2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid
SMILESCOc1cc(C(F)(F)C(=O)O)sn1
InChIInChI=1S/C6H5F2NO3S/c1-12-4-2-3(13-9-4)6(7,8)5(10)11/h2H,1H3,(H,10,11)
InChIKeyBFSXQJCUAMCCQA-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.33
Rot. Bonds3

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

2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid (PubChem CID 127020002) has the molecular formula C6H5F2NO3S and a molecular weight of 209.17 g/mol. Its IUPAC name is 2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid
PubChem CID127020002
Molecular FormulaC6H5F2NO3S
Molecular Weight209.17 g/mol
Exact Mass209.00
IUPAC Name2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid
SMILESCOc1cc(C(F)(F)C(=O)O)sn1
InChIInChI=1S/C6H5F2NO3S/c1-12-4-2-3(13-9-4)6(7,8)5(10)11/h2H,1H3,(H,10,11)
InChIKeyBFSXQJCUAMCCQA-UHFFFAOYSA-N
XLogP1.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid (CID 127020002) is 2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid is COc1cc(C(F)(F)C(=O)O)sn1.
What is the InChIKey of 2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid?
The InChIKey is BFSXQJCUAMCCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO3S/c1-12-4-2-3(13-9-4)6(7,8)5(10)11/h2H,1H3,(H,10,11).
What are the key properties of 2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid?
2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid has a molecular weight of 209.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(3-methoxy-1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 127020002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).