2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one

C7H7F2NO2S — CID 131090488

IUPAC2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one
SMILESCOc1ncc(C(=O)C(C)(F)F)s1
InChIInChI=1S/C7H7F2NO2S/c1-7(8,9)5(11)4-3-10-6(12-2)13-4/h3H,1-2H3
InChIKeySDYUWXUNCNYOIR-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.99
Rot. Bonds3

About 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one

2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one (PubChem CID 131090488) has the molecular formula C7H7F2NO2S and a molecular weight of 207.20 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one
PubChem CID131090488
Molecular FormulaC7H7F2NO2S
Molecular Weight207.20 g/mol
Exact Mass207.02
IUPAC Name2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one
SMILESCOc1ncc(C(=O)C(C)(F)F)s1
InChIInChI=1S/C7H7F2NO2S/c1-7(8,9)5(11)4-3-10-6(12-2)13-4/h3H,1-2H3
InChIKeySDYUWXUNCNYOIR-UHFFFAOYSA-N
XLogP1.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one (CID 131090488) is 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one is COc1ncc(C(=O)C(C)(F)F)s1.
What is the InChIKey of 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is SDYUWXUNCNYOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO2S/c1-7(8,9)5(11)4-3-10-6(12-2)13-4/h3H,1-2H3.
What are the key properties of 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one?
2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 207.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-methoxy-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 131090488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).