2,2,3,3-tetrafluoro-4H-thiopyran

C5H4F4S — CID 145021934

IUPAC2,2,3,3-tetrafluoro-4H-thiopyran
SMILESFC1(F)CC=CSC1(F)F
InChIInChI=1S/C5H4F4S/c6-4(7)2-1-3-10-5(4,8)9/h1,3H,2H2
InChIKeyCCMMMKGTGLRRGD-UHFFFAOYSA-N
MW172.15 g/mol
LogP2.87
Rot. Bonds

About 2,2,3,3-tetrafluoro-4H-thiopyran

2,2,3,3-tetrafluoro-4H-thiopyran (PubChem CID 145021934) has the molecular formula C5H4F4S and a molecular weight of 172.15 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-4H-thiopyran.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-4H-thiopyran
PubChem CID145021934
Molecular FormulaC5H4F4S
Molecular Weight172.15 g/mol
Exact Mass172.00
IUPAC Name2,2,3,3-tetrafluoro-4H-thiopyran
SMILESFC1(F)CC=CSC1(F)F
InChIInChI=1S/C5H4F4S/c6-4(7)2-1-3-10-5(4,8)9/h1,3H,2H2
InChIKeyCCMMMKGTGLRRGD-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6-Fluoro-6-(trifluoromethyl)-2,5-dihydrothiopyran
CID 85973980
2-(Trifluoromethyl)-2,3-dihydrothiophene
CID 18975125
6-(Trifluoromethylsulfanyl)hex-1-ene
CID 125473360
4-(Trifluoromethylsulfanyl)but-1-ene
CID 141487415
1,1,1,1,2,2-hexafluoro-3H-thiophene
CID 154170459

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-4H-thiopyran?
The IUPAC name of 2,2,3,3-tetrafluoro-4H-thiopyran (CID 145021934) is 2,2,3,3-tetrafluoro-4H-thiopyran.
What is the SMILES notation for 2,2,3,3-tetrafluoro-4H-thiopyran?
The canonical SMILES for 2,2,3,3-tetrafluoro-4H-thiopyran is FC1(F)CC=CSC1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-4H-thiopyran?
The InChIKey is CCMMMKGTGLRRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4S/c6-4(7)2-1-3-10-5(4,8)9/h1,3H,2H2.
What are the key properties of 2,2,3,3-tetrafluoro-4H-thiopyran?
2,2,3,3-tetrafluoro-4H-thiopyran has a molecular weight of 172.15 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-4H-thiopyran is sourced from PubChem (CID 145021934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).