(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione

C11H6F3NOS2 — CID 164599486

IUPAC(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione
SMILESFC(F)(F)c1cccc(/C=C2\OC(=S)NC2=S)c1
InChIInChI=1S/C11H6F3NOS2/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(17)15-10(18)16-8/h1-5H,(H,15,17,18)/b8-5-
InChIKeyKDHUSAIWCMOBBR-YVMONPNESA-N
MW289.30 g/mol
LogP3.28
Rot. Bonds1

About (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione

(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione (PubChem CID 164599486) has the molecular formula C11H6F3NOS2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione.

Molecular Properties

Compound Name(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione
PubChem CID164599486
Molecular FormulaC11H6F3NOS2
Molecular Weight289.30 g/mol
Exact Mass288.98
IUPAC Name(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione
SMILESFC(F)(F)c1cccc(/C=C2\OC(=S)NC2=S)c1
InChIInChI=1S/C11H6F3NOS2/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(17)15-10(18)16-8/h1-5H,(H,15,17,18)/b8-5-
InChIKeyKDHUSAIWCMOBBR-YVMONPNESA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene
CID 89386202
2-[3-(trifluoromethyl)phenyl]ethenone
CID 13054863
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CID 79880639
(4E)-2-methyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 121002509
2-methyl-4-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
CID 85256405
(2E)-5-methoxy-2-[[3-(trifluoromethyl)phenyl]methylidene]-1-benzofuran-3-one
CID 11759008
1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene
CID 70967348
5-fluoro-3-[[3-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246047
(5E)-3-propyl-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 126251684
(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one
CID 5476828
(5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 154792233
1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene
CID 177498684

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione?
The IUPAC name of (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione (CID 164599486) is (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione.
What is the SMILES notation for (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione?
The canonical SMILES for (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione is FC(F)(F)c1cccc(/C=C2\OC(=S)NC2=S)c1.
What is the InChIKey of (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione?
The InChIKey is KDHUSAIWCMOBBR-YVMONPNESA-N. The full InChI is InChI=1S/C11H6F3NOS2/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(17)15-10(18)16-8/h1-5H,(H,15,17,18)/b8-5-.
What are the key properties of (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione?
(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione has a molecular weight of 289.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione is sourced from PubChem (CID 164599486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).