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

C6H7F2NO2S — CID 131093371

IUPAC2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
SMILESCOc1cc(C(O)C(F)F)sn1
InChIInChI=1S/C6H7F2NO2S/c1-11-4-2-3(12-9-4)5(10)6(7)8/h2,5-6,10H,1H3
InChIKeyYIQJAJKHKJWVAL-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.45
Rot. Bonds3

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

2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol (PubChem CID 131093371) has the molecular formula C6H7F2NO2S and a molecular weight of 195.19 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
PubChem CID131093371
Molecular FormulaC6H7F2NO2S
Molecular Weight195.19 g/mol
Exact Mass195.02
IUPAC Name2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
SMILESCOc1cc(C(O)C(F)F)sn1
InChIInChI=1S/C6H7F2NO2S/c1-11-4-2-3(12-9-4)5(10)6(7)8/h2,5-6,10H,1H3
InChIKeyYIQJAJKHKJWVAL-UHFFFAOYSA-N
XLogP1.45
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Methoxy-1,2-thiazol-5-yl)methanol
CID 10630638
2,2-Difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol
CID 130698711
(1S)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
CID 130704978
(1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
CID 130729854
2-Chloro-2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
CID 130748201
2-Bromo-2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
CID 130943414
1-(3-Methoxy-1,2-thiazol-5-yl)ethanol
CID 126999944
1-(3-Methoxy-1,2-thiazol-5-yl)propane-1,2-diol
CID 126999965
1-(3-Methoxy-1,2-thiazol-5-yl)-2-methylpropan-1-ol
CID 130640794
Cyclopropyl-(3-methoxy-1,2-thiazol-5-yl)methanol
CID 130748192
2-(3-Methoxy-1,2-thiazol-5-yl)butan-2-ol
CID 130748193
1-(3-Methoxy-1,2-thiazol-5-yl)prop-2-en-1-ol
CID 130806565

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol (CID 131093371) is 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol is COc1cc(C(O)C(F)F)sn1.
What is the InChIKey of 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol?
The InChIKey is YIQJAJKHKJWVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO2S/c1-11-4-2-3(12-9-4)5(10)6(7)8/h2,5-6,10H,1H3.
What are the key properties of 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol?
2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol has a molecular weight of 195.19 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 131093371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).