2-(trifluoromethyl)-2H-thiopyran

C6H5F3S — CID 149435134

IUPAC2-(trifluoromethyl)-2H-thiopyran
SMILESFC(F)(F)C1C=CC=CS1
InChIInChI=1S/C6H5F3S/c7-6(8,9)5-3-1-2-4-10-5/h1-5H
InChIKeyPMNXSSUMNPJCST-UHFFFAOYSA-N
MW166.17 g/mol
LogP2.73
Rot. Bonds

About 2-(trifluoromethyl)-2H-thiopyran

2-(trifluoromethyl)-2H-thiopyran (PubChem CID 149435134) has the molecular formula C6H5F3S and a molecular weight of 166.17 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2H-thiopyran.

Molecular Properties

Compound Name2-(trifluoromethyl)-2H-thiopyran
PubChem CID149435134
Molecular FormulaC6H5F3S
Molecular Weight166.17 g/mol
Exact Mass166.01
IUPAC Name2-(trifluoromethyl)-2H-thiopyran
SMILESFC(F)(F)C1C=CC=CS1
InChIInChI=1S/C6H5F3S/c7-6(8,9)5-3-1-2-4-10-5/h1-5H
InChIKeyPMNXSSUMNPJCST-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Trifluoromethyl)-2,5-dihydrothiophene
CID 134857826
Trifluoromethyl 4h thiopyran
CID 129814158
4-Trifluoromethyl-2h-thiopyran
CID 129860350
2,2-Bis(trifluoromethyl) thiopyran
CID 129860431
5-[2-(Trifluoromethylsulfanyl)ethylidene]cyclopenta-1,3-diene
CID 166441103
1-(Trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 17821327
2-(Trifluoromethylsulfanyl)cyclohexa-1,3-diene
CID 18614389
5-(Trifluoromethylsulfanyl)cyclopenta-1,3-diene
CID 101472109
2-methyl-5-(trifluoromethyl)-2H-thiopyran
CID 142828312
6-fluoro-5-methyl-2H-thiopyran
CID 143781863
6-fluoro-2-methyl-2H-thiopyran
CID 155395526
1,5-Difluoro-6-methylsulfanylcyclohexa-1,3-diene
CID 164113100

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2H-thiopyran?
The IUPAC name of 2-(trifluoromethyl)-2H-thiopyran (CID 149435134) is 2-(trifluoromethyl)-2H-thiopyran.
What is the SMILES notation for 2-(trifluoromethyl)-2H-thiopyran?
The canonical SMILES for 2-(trifluoromethyl)-2H-thiopyran is FC(F)(F)C1C=CC=CS1.
What is the InChIKey of 2-(trifluoromethyl)-2H-thiopyran?
The InChIKey is PMNXSSUMNPJCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3S/c7-6(8,9)5-3-1-2-4-10-5/h1-5H.
What are the key properties of 2-(trifluoromethyl)-2H-thiopyran?
2-(trifluoromethyl)-2H-thiopyran has a molecular weight of 166.17 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2H-thiopyran is sourced from PubChem (CID 149435134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).