prop-2-en-1-ol;1,2,2-trifluoroethenethiol

C5H7F3OS — CID 174402831

IUPACprop-2-en-1-ol;1,2,2-trifluoroethenethiol
SMILESC=CCO.FC(F)=C(F)S
InChIInChI=1S/C3H6O.C2HF3S/c1-2-3-4;3-1(4)2(5)6/h2,4H,1,3H2;6H
InChIKeyDWJZCLVOQAYSIK-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.12
Rot. Bonds1

About prop-2-en-1-ol;1,2,2-trifluoroethenethiol

prop-2-en-1-ol;1,2,2-trifluoroethenethiol (PubChem CID 174402831) has the molecular formula C5H7F3OS and a molecular weight of 172.17 g/mol. Its IUPAC name is prop-2-en-1-ol;1,2,2-trifluoroethenethiol.

Molecular Properties

Compound Nameprop-2-en-1-ol;1,2,2-trifluoroethenethiol
PubChem CID174402831
Molecular FormulaC5H7F3OS
Molecular Weight172.17 g/mol
Exact Mass172.02
IUPAC Nameprop-2-en-1-ol;1,2,2-trifluoroethenethiol
SMILESC=CCO.FC(F)=C(F)S
InChIInChI=1S/C3H6O.C2HF3S/c1-2-3-4;3-1(4)2(5)6/h2,4H,1,3H2;6H
InChIKeyDWJZCLVOQAYSIK-UHFFFAOYSA-N
XLogP2.12
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze prop-2-en-1-ol;1,2,2-trifluoroethenethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-en-1-ol;1,2,2-trifluoroethenethiol?
The IUPAC name of prop-2-en-1-ol;1,2,2-trifluoroethenethiol (CID 174402831) is prop-2-en-1-ol;1,2,2-trifluoroethenethiol.
What is the SMILES notation for prop-2-en-1-ol;1,2,2-trifluoroethenethiol?
The canonical SMILES for prop-2-en-1-ol;1,2,2-trifluoroethenethiol is C=CCO.FC(F)=C(F)S.
What is the InChIKey of prop-2-en-1-ol;1,2,2-trifluoroethenethiol?
The InChIKey is DWJZCLVOQAYSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2HF3S/c1-2-3-4;3-1(4)2(5)6/h2,4H,1,3H2;6H.
What are the key properties of prop-2-en-1-ol;1,2,2-trifluoroethenethiol?
prop-2-en-1-ol;1,2,2-trifluoroethenethiol has a molecular weight of 172.17 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-en-1-ol;1,2,2-trifluoroethenethiol is sourced from PubChem (CID 174402831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).