2-(2,4-difluorophenoxy)ethanethiol

C8H8F2OS — CID 79002379

IUPAC2-(2,4-difluorophenoxy)ethanethiol
SMILESFc1ccc(OCCS)c(F)c1
InChIInChI=1S/C8H8F2OS/c9-6-1-2-8(7(10)5-6)11-3-4-12/h1-2,5,12H,3-4H2
InChIKeyVSHBXFHXUMGOFF-UHFFFAOYSA-N
MW190.21 g/mol
LogP2.27
Rot. Bonds3

About 2-(2,4-difluorophenoxy)ethanethiol

2-(2,4-difluorophenoxy)ethanethiol (PubChem CID 79002379) has the molecular formula C8H8F2OS and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)ethanethiol.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)ethanethiol
PubChem CID79002379
Molecular FormulaC8H8F2OS
Molecular Weight190.21 g/mol
Exact Mass190.03
IUPAC Name2-(2,4-difluorophenoxy)ethanethiol
SMILESFc1ccc(OCCS)c(F)c1
InChIInChI=1S/C8H8F2OS/c9-6-1-2-8(7(10)5-6)11-3-4-12/h1-2,5,12H,3-4H2
InChIKeyVSHBXFHXUMGOFF-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 89282398
CID 89282398
2-(2-chloro-4-fluorophenoxy)ethanethiol
CID 79019887
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
5-(2,4-difluorophenoxy)pentanenitrile
CID 60772052
3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride
CID 165461012
(2,4-difluorophenoxy)methyl-trifluoroboranuide
CID 63702065
5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine
CID 82353628
[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine
CID 43254007
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)ethanethiol?
The IUPAC name of 2-(2,4-difluorophenoxy)ethanethiol (CID 79002379) is 2-(2,4-difluorophenoxy)ethanethiol.
What is the SMILES notation for 2-(2,4-difluorophenoxy)ethanethiol?
The canonical SMILES for 2-(2,4-difluorophenoxy)ethanethiol is Fc1ccc(OCCS)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenoxy)ethanethiol?
The InChIKey is VSHBXFHXUMGOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2OS/c9-6-1-2-8(7(10)5-6)11-3-4-12/h1-2,5,12H,3-4H2.
What are the key properties of 2-(2,4-difluorophenoxy)ethanethiol?
2-(2,4-difluorophenoxy)ethanethiol has a molecular weight of 190.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)ethanethiol is sourced from PubChem (CID 79002379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).