[2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol

C9H8ClF3OS — CID 150526654

IUPAC[2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol
SMILESOCc1c(SCC(F)F)ccc(F)c1Cl
InChIInChI=1S/C9H8ClF3OS/c10-9-5(3-14)7(2-1-6(9)11)15-4-8(12)13/h1-2,8,14H,3-4H2
InChIKeyICYOIWNJTPEGHG-UHFFFAOYSA-N
MW256.68 g/mol
LogP3.33
Rot. Bonds4

About [2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol

[2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol (PubChem CID 150526654) has the molecular formula C9H8ClF3OS and a molecular weight of 256.68 g/mol. Its IUPAC name is [2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol
PubChem CID150526654
Molecular FormulaC9H8ClF3OS
Molecular Weight256.68 g/mol
Exact Mass255.99
IUPAC Name[2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol
SMILESOCc1c(SCC(F)F)ccc(F)c1Cl
InChIInChI=1S/C9H8ClF3OS/c10-9-5(3-14)7(2-1-6(9)11)15-4-8(12)13/h1-2,8,14H,3-4H2
InChIKeyICYOIWNJTPEGHG-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.68
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol?
The IUPAC name of [2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol (CID 150526654) is [2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol.
What is the SMILES notation for [2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol?
The canonical SMILES for [2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol is OCc1c(SCC(F)F)ccc(F)c1Cl.
What is the InChIKey of [2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol?
The InChIKey is ICYOIWNJTPEGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3OS/c10-9-5(3-14)7(2-1-6(9)11)15-4-8(12)13/h1-2,8,14H,3-4H2.
What are the key properties of [2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol?
[2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol has a molecular weight of 256.68 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(2,2-difluoroethylsulfanyl)-3-fluorophenyl]methanol is sourced from PubChem (CID 150526654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).