2-(2,2-difluoroethoxy)ethanethiol

C4H8F2OS — CID 82010156

IUPAC2-(2,2-difluoroethoxy)ethanethiol
SMILESFC(F)COCCS
InChIInChI=1S/C4H8F2OS/c5-4(6)3-7-1-2-8/h4,8H,1-3H2
InChIKeyVHNHRCUXBLSAIZ-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.20
Rot. Bonds4

About 2-(2,2-difluoroethoxy)ethanethiol

2-(2,2-difluoroethoxy)ethanethiol (PubChem CID 82010156) has the molecular formula C4H8F2OS and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)ethanethiol.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)ethanethiol
PubChem CID82010156
Molecular FormulaC4H8F2OS
Molecular Weight142.17 g/mol
Exact Mass142.03
IUPAC Name2-(2,2-difluoroethoxy)ethanethiol
SMILESFC(F)COCCS
InChIInChI=1S/C4H8F2OS/c5-4(6)3-7-1-2-8/h4,8H,1-3H2
InChIKeyVHNHRCUXBLSAIZ-UHFFFAOYSA-N
XLogP1.20
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3,3-Trifluoropropoxy)ethanethiol
CID 82957544
2-(Trifluoromethoxy)ethanethiol
CID 87205814
2-(1,1,2,2,2-Pentafluoroethoxy)ethanethiol
CID 87205863
2-(1,1,2,2-Tetrafluoroethoxy)ethanethiol
CID 87774043
2-(2,2,2-Trifluoroethoxy)ethane-1,1-dithiol
CID 130347004
3-(2-Fluoroethoxy)propane-1-thiol
CID 130473934
1,1-Difluoro-2-(1-methylsulfanylethoxy)ethane
CID 131981930
4-(Difluoromethoxy)butane-2-thiol
CID 139292258
1,1,1-Trifluoro-2-(1-methylsulfanylethoxy)ethane
CID 139323234
1-[1-(Disulfanyl)ethoxy]-2,2-difluoropropane
CID 139332050
1,1,2-Trifluoro-1-(2-methylsulfanylethoxy)ethane
CID 139683143
1-(1,1,2,2,3,3,3-Heptafluoropropoxy)butane-1-thiol
CID 153907009

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)ethanethiol?
The IUPAC name of 2-(2,2-difluoroethoxy)ethanethiol (CID 82010156) is 2-(2,2-difluoroethoxy)ethanethiol.
What is the SMILES notation for 2-(2,2-difluoroethoxy)ethanethiol?
The canonical SMILES for 2-(2,2-difluoroethoxy)ethanethiol is FC(F)COCCS.
What is the InChIKey of 2-(2,2-difluoroethoxy)ethanethiol?
The InChIKey is VHNHRCUXBLSAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2OS/c5-4(6)3-7-1-2-8/h4,8H,1-3H2.
What are the key properties of 2-(2,2-difluoroethoxy)ethanethiol?
2-(2,2-difluoroethoxy)ethanethiol has a molecular weight of 142.17 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)ethanethiol is sourced from PubChem (CID 82010156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).