(Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one

C5H5F3OS — CID 155400858

IUPAC(Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one
SMILESO=C(C/C=C\S)C(F)(F)F
InChIInChI=1S/C5H5F3OS/c6-5(7,8)4(9)2-1-3-10/h1,3,10H,2H2/b3-1-
InChIKeyDXCCBERDGVAOEK-IWQZZHSRSA-N
MW170.16 g/mol
LogP1.95
Rot. Bonds2

About (Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one

(Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one (PubChem CID 155400858) has the molecular formula C5H5F3OS and a molecular weight of 170.16 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one
PubChem CID155400858
Molecular FormulaC5H5F3OS
Molecular Weight170.16 g/mol
Exact Mass170.00
IUPAC Name(Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one
SMILESO=C(C/C=C\S)C(F)(F)F
InChIInChI=1S/C5H5F3OS/c6-5(7,8)4(9)2-1-3-10/h1,3,10H,2H2/b3-1-
InChIKeyDXCCBERDGVAOEK-IWQZZHSRSA-N
XLogP1.95
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(E)-4-sulfanylbut-3-enoic acid
CID 87827662
copper;1,1,1,5,5,5-hexafluoropentane-2,4-dione
CID 15360935
(E)-1,1,1-trifluoro-4-sulfanylbut-3-en-2-one
CID 88602335
(Z)-1,1,1-trifluorohept-5-en-2-one
CID 145337030
1,1,1-trifluoro-4,4-bis(sulfanyl)butan-2-one
CID 22388928
1,1,1,3-tetrafluoropropan-2-one;hydrate
CID 87581262
calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride
CID 173351670
5,5,5-trifluoro-4-oxopentanoic acid
CID 20543330
(3,3,3-trifluoro-2-oxopropyl) hypofluorite
CID 22889463
4-amino-5,5,5-trifluoropent-3-enoic acid
CID 151824390
1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
CID 72726260
tetrakis(1,1,1-trifluoropentane-2,4-dione);zirconium(4+)
CID 175507509

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one?
The IUPAC name of (Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one (CID 155400858) is (Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one.
What is the SMILES notation for (Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one?
The canonical SMILES for (Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one is O=C(C/C=C\S)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one?
The InChIKey is DXCCBERDGVAOEK-IWQZZHSRSA-N. The full InChI is InChI=1S/C5H5F3OS/c6-5(7,8)4(9)2-1-3-10/h1,3,10H,2H2/b3-1-.
What are the key properties of (Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one?
(Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one has a molecular weight of 170.16 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one is sourced from PubChem (CID 155400858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).