9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene

C17H11F3S — CID 54355010

IUPAC9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene
SMILESC=CC=C1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H11F3S/c1-2-5-12-13-6-3-4-7-15(13)21-16-9-8-11(10-14(12)16)17(18,19)20/h2-10H,1H2
InChIKeyUIMQNVZBCXVRPK-UHFFFAOYSA-N
MW304.34 g/mol
LogP5.79
Rot. Bonds1

About 9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene

9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene (PubChem CID 54355010) has the molecular formula C17H11F3S and a molecular weight of 304.34 g/mol. Its IUPAC name is 9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene.

Molecular Properties

Compound Name9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene
PubChem CID54355010
Molecular FormulaC17H11F3S
Molecular Weight304.34 g/mol
Exact Mass304.05
IUPAC Name9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene
SMILESC=CC=C1c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H11F3S/c1-2-5-12-13-6-3-4-7-15(13)21-16-9-8-11(10-14(12)16)17(18,19)20/h2-10H,1H2
InChIKeyUIMQNVZBCXVRPK-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.34
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene?
The IUPAC name of 9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene (CID 54355010) is 9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene.
What is the SMILES notation for 9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene?
The canonical SMILES for 9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene is C=CC=C1c2ccccc2Sc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene?
The InChIKey is UIMQNVZBCXVRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3S/c1-2-5-12-13-6-3-4-7-15(13)21-16-9-8-11(10-14(12)16)17(18,19)20/h2-10H,1H2.
What are the key properties of 9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene?
9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene has a molecular weight of 304.34 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enylidene-2-(trifluoromethyl)thioxanthene is sourced from PubChem (CID 54355010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).