2-(2,2,2-trifluoroethoxy)ethanethiol

C4H7F3OS — CID 61490314

IUPAC2-(2,2,2-trifluoroethoxy)ethanethiol
SMILESFC(F)(F)COCCS
InChIInChI=1S/C4H7F3OS/c5-4(6,7)3-8-1-2-9/h9H,1-3H2
InChIKeyFDZDWMWERSJKDI-UHFFFAOYSA-N
MW160.16 g/mol
LogP1.50
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxy)ethanethiol

2-(2,2,2-trifluoroethoxy)ethanethiol (PubChem CID 61490314) has the molecular formula C4H7F3OS and a molecular weight of 160.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)ethanethiol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)ethanethiol
PubChem CID61490314
Molecular FormulaC4H7F3OS
Molecular Weight160.16 g/mol
Exact Mass160.02
IUPAC Name2-(2,2,2-trifluoroethoxy)ethanethiol
SMILESFC(F)(F)COCCS
InChIInChI=1S/C4H7F3OS/c5-4(6,7)3-8-1-2-9/h9H,1-3H2
InChIKeyFDZDWMWERSJKDI-UHFFFAOYSA-N
XLogP1.50
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.50
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-(2,2-Difluoroethoxy)ethane-1-thiol
CID 82010156
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
2-[1-(Disulfanyl)ethoxy]-1,1,1-trifluoroethane
CID 134572213
(1S)-1-(difluoromethoxy)ethanethiol
CID 139365174
1-(Trifluoromethoxy)ethanethiol
CID 173032122
1-(3,3,3-Trifluoropropoxy)ethanethiol
CID 173032125
1-(1,1,2,2,2-Pentafluoroethoxy)ethanethiol
CID 173032132
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)ethanethiol
CID 15435925

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)ethanethiol?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)ethanethiol (CID 61490314) is 2-(2,2,2-trifluoroethoxy)ethanethiol.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)ethanethiol?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)ethanethiol is FC(F)(F)COCCS.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)ethanethiol?
The InChIKey is FDZDWMWERSJKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3OS/c5-4(6,7)3-8-1-2-9/h9H,1-3H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)ethanethiol?
2-(2,2,2-trifluoroethoxy)ethanethiol has a molecular weight of 160.16 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)ethanethiol is sourced from PubChem (CID 61490314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).