2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine

C19H12F3NS — CID 2746234

IUPAC2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(SC2c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C19H12F3NS/c20-19(21,22)12-9-10-17(23-11-12)24-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-11,18H
InChIKeyWUDIVRMEBFPPAT-UHFFFAOYSA-N
MW343.37 g/mol
LogP5.96
Rot. Bonds2

About 2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine

2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine (PubChem CID 2746234) has the molecular formula C19H12F3NS and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine
PubChem CID2746234
Molecular FormulaC19H12F3NS
Molecular Weight343.37 g/mol
Exact Mass343.06
IUPAC Name2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(SC2c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C19H12F3NS/c20-19(21,22)12-9-10-17(23-11-12)24-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-11,18H
InChIKeyWUDIVRMEBFPPAT-UHFFFAOYSA-N
XLogP5.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.37
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine (CID 2746234) is 2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(SC2c3ccccc3-c3ccccc32)nc1.
What is the InChIKey of 2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine?
The InChIKey is WUDIVRMEBFPPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NS/c20-19(21,22)12-9-10-17(23-11-12)24-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-11,18H.
What are the key properties of 2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine?
2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine has a molecular weight of 343.37 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylsulfanyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2746234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).