1,2,2,2-tetrafluoroethanethiol

C2H2F4S — CID 57068914

IUPAC1,2,2,2-tetrafluoroethanethiol
SMILESFC(S)C(F)(F)F
InChIInChI=1S/C2H2F4S/c3-1(7)2(4,5)6/h1,7H
InChIKeyUNSAHHSHYQDLNX-UHFFFAOYSA-N
MW134.10 g/mol
LogP1.77
Rot. Bonds

About 1,2,2,2-tetrafluoroethanethiol

1,2,2,2-tetrafluoroethanethiol (PubChem CID 57068914) has the molecular formula C2H2F4S and a molecular weight of 134.10 g/mol. Its IUPAC name is 1,2,2,2-tetrafluoroethanethiol.

Molecular Properties

Compound Name1,2,2,2-tetrafluoroethanethiol
PubChem CID57068914
Molecular FormulaC2H2F4S
Molecular Weight134.10 g/mol
Exact Mass133.98
IUPAC Name1,2,2,2-tetrafluoroethanethiol
SMILESFC(S)C(F)(F)F
InChIInChI=1S/C2H2F4S/c3-1(7)2(4,5)6/h1,7H
InChIKeyUNSAHHSHYQDLNX-UHFFFAOYSA-N
XLogP1.77
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.10
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2-pentafluoroethane iodide
CID 157061199
1,2,2,2-tetrafluoroethyl-λ2-stannane
CID 174539767
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
1-deuterio-1,1,2,2,2-pentafluoroethane
CID 59129850
lithium;hydride;1,1,1,2,2-pentafluoroethane
CID 173225751
fluoro hypofluorite;1,1,1,2,2-pentafluoroethane
CID 174898665
(2R)-1,1,1,3,3-pentafluoropropan-2-amine
CID 130625180
1,2-difluoroethanethiol
CID 56985558
1,2,3,3,3-pentafluoropropan-1-ol
CID 23510551
CID 175520186
CID 175520186
(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane
CID 95036254
CID 146226075
CID 146226075

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrafluoroethanethiol?
The IUPAC name of 1,2,2,2-tetrafluoroethanethiol (CID 57068914) is 1,2,2,2-tetrafluoroethanethiol.
What is the SMILES notation for 1,2,2,2-tetrafluoroethanethiol?
The canonical SMILES for 1,2,2,2-tetrafluoroethanethiol is FC(S)C(F)(F)F.
What is the InChIKey of 1,2,2,2-tetrafluoroethanethiol?
The InChIKey is UNSAHHSHYQDLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4S/c3-1(7)2(4,5)6/h1,7H.
What are the key properties of 1,2,2,2-tetrafluoroethanethiol?
1,2,2,2-tetrafluoroethanethiol has a molecular weight of 134.10 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrafluoroethanethiol is sourced from PubChem (CID 57068914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).