2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol

C10H8ClFN2OS — CID 102867495

IUPAC2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1F)c1cnsn1
InChIInChI=1S/C10H8ClFN2OS/c11-7-3-1-2-6(10(7)12)4-9(15)8-5-13-16-14-8/h1-3,5,9,15H,4H2
InChIKeyPTFCGASXGWJJEE-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.61
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol

2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol (PubChem CID 102867495) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
PubChem CID102867495
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.70 g/mol
Exact Mass258.00
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1F)c1cnsn1
InChIInChI=1S/C10H8ClFN2OS/c11-7-3-1-2-6(10(7)12)4-9(15)8-5-13-16-14-8/h1-3,5,9,15H,4H2
InChIKeyPTFCGASXGWJJEE-UHFFFAOYSA-N
XLogP2.61
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105124053
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1-(5-bromothiophen-3-yl)-2-(3-chloro-2-fluorophenyl)ethanol
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1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
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1-chloro-3-[2-(chloromethyl)-3-(2-chlorophenyl)propyl]-2-fluorobenzene
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CID 82803053

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol (CID 102867495) is 2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol is OC(Cc1cccc(Cl)c1F)c1cnsn1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol?
The InChIKey is PTFCGASXGWJJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c11-7-3-1-2-6(10(7)12)4-9(15)8-5-13-16-14-8/h1-3,5,9,15H,4H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol?
2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol has a molecular weight of 258.70 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol is sourced from PubChem (CID 102867495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).