2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran

C10HF15S — CID 12613215

IUPAC2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)=C(C(F)(F)F)C(C(F)(F)F)S1
InChIInChI=1S/C10HF15S/c11-6(12,13)1-2(7(14,15)16)4(9(20,21)22)26-5(10(23,24)25)3(1)8(17,18)19/h4H
InChIKeyRIZSZNDEDJPLPF-UHFFFAOYSA-N
MW438.16 g/mol
LogP6.46
Rot. Bonds

About 2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran

2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran (PubChem CID 12613215) has the molecular formula C10HF15S and a molecular weight of 438.16 g/mol. Its IUPAC name is 2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran.

Molecular Properties

Compound Name2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran
PubChem CID12613215
Molecular FormulaC10HF15S
Molecular Weight438.16 g/mol
Exact Mass437.96
IUPAC Name2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)=C(C(F)(F)F)C(C(F)(F)F)S1
InChIInChI=1S/C10HF15S/c11-6(12,13)1-2(7(14,15)16)4(9(20,21)22)26-5(10(23,24)25)3(1)8(17,18)19/h4H
InChIKeyRIZSZNDEDJPLPF-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.16
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran?
The IUPAC name of 2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran (CID 12613215) is 2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran.
What is the SMILES notation for 2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran?
The canonical SMILES for 2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran is FC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)=C(C(F)(F)F)C(C(F)(F)F)S1.
What is the InChIKey of 2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran?
The InChIKey is RIZSZNDEDJPLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HF15S/c11-6(12,13)1-2(7(14,15)16)4(9(20,21)22)26-5(10(23,24)25)3(1)8(17,18)19/h4H.
What are the key properties of 2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran?
2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran has a molecular weight of 438.16 g/mol, XLogP of 6.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentakis(trifluoromethyl)-2H-thiopyran is sourced from PubChem (CID 12613215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).