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

C5H5F2NOS — CID 131096578

IUPAC2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol
SMILESOC(c1ccsn1)C(F)F
InChIInChI=1S/C5H5F2NOS/c6-5(7)4(9)3-1-2-10-8-3/h1-2,4-5,9H
InChIKeyOFDFZCGGWNKKJI-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.44
Rot. Bonds2

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

2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol (PubChem CID 131096578) has the molecular formula C5H5F2NOS and a molecular weight of 165.16 g/mol. Its IUPAC name is 2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol
PubChem CID131096578
Molecular FormulaC5H5F2NOS
Molecular Weight165.16 g/mol
Exact Mass165.01
IUPAC Name2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol
SMILESOC(c1ccsn1)C(F)F
InChIInChI=1S/C5H5F2NOS/c6-5(7)4(9)3-1-2-10-8-3/h1-2,4-5,9H
InChIKeyOFDFZCGGWNKKJI-UHFFFAOYSA-N
XLogP1.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(Trifluoromethyl)-1,2-thiazol-3-yl]methanol
CID 130605286
(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130991631
(1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131067597
2,2,2-Trifluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131163031
Isothiazol-3-ylmethanol
CID 18361854
1-(Isothiazol-3-yl)ethanol
CID 19017861
2-Hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde
CID 23459397
3-Chloro-1-(1,2-thiazol-3-yl)propan-1-ol
CID 69648256
3-Azido-1-(1,2-thiazol-3-yl)propan-1-ol
CID 91451221
(1S)-1-(1,2-thiazol-3-yl)ethanol
CID 118480475
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506
2-(1,2-Thiazol-3-yl)propan-2-ol
CID 119097575

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol (CID 131096578) is 2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol is OC(c1ccsn1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol?
The InChIKey is OFDFZCGGWNKKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NOS/c6-5(7)4(9)3-1-2-10-8-3/h1-2,4-5,9H.
What are the key properties of 2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol?
2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol has a molecular weight of 165.16 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1,2-thiazol-3-yl)ethanol is sourced from PubChem (CID 131096578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).