2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene

C23H19FS — CID 158247417

IUPAC2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene
SMILESC=C(c1cccc(C(C)F)c1)c1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C23H19FS/c1-15(17-7-5-8-19(12-17)16(2)24)18-10-11-23-21(13-18)14-20-6-3-4-9-22(20)25-23/h3-13,16H,1,14H2,2H3
InChIKeyUZGHFNMVDGVJMV-UHFFFAOYSA-N
MW346.47 g/mol
LogP6.83
Rot. Bonds3

About 2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene

2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene (PubChem CID 158247417) has the molecular formula C23H19FS and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene.

Molecular Properties

Compound Name2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene
PubChem CID158247417
Molecular FormulaC23H19FS
Molecular Weight346.47 g/mol
Exact Mass346.12
IUPAC Name2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene
SMILESC=C(c1cccc(C(C)F)c1)c1ccc2c(c1)Cc1ccccc1S2
InChIInChI=1S/C23H19FS/c1-15(17-7-5-8-19(12-17)16(2)24)18-10-11-23-21(13-18)14-20-6-3-4-9-22(20)25-23/h3-13,16H,1,14H2,2H3
InChIKeyUZGHFNMVDGVJMV-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene?
The IUPAC name of 2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene (CID 158247417) is 2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene.
What is the SMILES notation for 2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene?
The canonical SMILES for 2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene is C=C(c1cccc(C(C)F)c1)c1ccc2c(c1)Cc1ccccc1S2.
What is the InChIKey of 2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene?
The InChIKey is UZGHFNMVDGVJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FS/c1-15(17-7-5-8-19(12-17)16(2)24)18-10-11-23-21(13-18)14-20-6-3-4-9-22(20)25-23/h3-13,16H,1,14H2,2H3.
What are the key properties of 2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene?
2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene has a molecular weight of 346.47 g/mol, XLogP of 6.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1-fluoroethyl)phenyl]ethenyl]-9H-thioxanthene is sourced from PubChem (CID 158247417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).