1,2,2-trifluoroethanethiol

C2H3F3S — CID 19438382

IUPAC1,2,2-trifluoroethanethiol
SMILESFC(F)C(F)S
InChIInChI=1S/C2H3F3S/c3-1(4)2(5)6/h1-2,6H
InChIKeyLOIOGJZURNOUDO-UHFFFAOYSA-N
MW116.11 g/mol
LogP1.48
Rot. Bonds1

About 1,2,2-trifluoroethanethiol

1,2,2-trifluoroethanethiol (PubChem CID 19438382) has the molecular formula C2H3F3S and a molecular weight of 116.11 g/mol. Its IUPAC name is 1,2,2-trifluoroethanethiol.

Molecular Properties

Compound Name1,2,2-trifluoroethanethiol
PubChem CID19438382
Molecular FormulaC2H3F3S
Molecular Weight116.11 g/mol
Exact Mass115.99
IUPAC Name1,2,2-trifluoroethanethiol
SMILESFC(F)C(F)S
InChIInChI=1S/C2H3F3S/c3-1(4)2(5)6/h1-2,6H
InChIKeyLOIOGJZURNOUDO-UHFFFAOYSA-N
XLogP1.48
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.11
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoroethanethiol?
The IUPAC name of 1,2,2-trifluoroethanethiol (CID 19438382) is 1,2,2-trifluoroethanethiol.
What is the SMILES notation for 1,2,2-trifluoroethanethiol?
The canonical SMILES for 1,2,2-trifluoroethanethiol is FC(F)C(F)S.
What is the InChIKey of 1,2,2-trifluoroethanethiol?
The InChIKey is LOIOGJZURNOUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3S/c3-1(4)2(5)6/h1-2,6H.
What are the key properties of 1,2,2-trifluoroethanethiol?
1,2,2-trifluoroethanethiol has a molecular weight of 116.11 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoroethanethiol is sourced from PubChem (CID 19438382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).