5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine

C5H5F3S2 — CID 15720767

IUPAC5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine
SMILESFC(F)(F)C1=CSCCS1
InChIInChI=1S/C5H5F3S2/c6-5(7,8)4-3-9-1-2-10-4/h3H,1-2H2
InChIKeyPGARQFDGASJZKZ-UHFFFAOYSA-N
MW186.22 g/mol
LogP2.87
Rot. Bonds

About 5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine

5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine (PubChem CID 15720767) has the molecular formula C5H5F3S2 and a molecular weight of 186.22 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine
PubChem CID15720767
Molecular FormulaC5H5F3S2
Molecular Weight186.22 g/mol
Exact Mass185.98
IUPAC Name5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine
SMILESFC(F)(F)C1=CSCCS1
InChIInChI=1S/C5H5F3S2/c6-5(7,8)4-3-9-1-2-10-4/h3H,1-2H2
InChIKeyPGARQFDGASJZKZ-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Bis(trifluoromethyl)-1,4-dithiine
CID 13739289
5-(Difluoromethyl)-2,3-dihydro-1,4-dithiine
CID 15720768
(E)-2-ethylsulfanyl-3,3,3-trifluoro-1-methylsulfanylprop-1-ene
CID 100998495
5,6-Bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine
CID 101408963
2-Ethylsulfanyl-3,3,3-trifluoroprop-1-ene
CID 162597256
3-(3,3-Difluoroprop-2-enylsulfanyl)-1,1-difluoroprop-1-ene;sulfane
CID 175378222

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine?
The IUPAC name of 5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine (CID 15720767) is 5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine.
What is the SMILES notation for 5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine?
The canonical SMILES for 5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine is FC(F)(F)C1=CSCCS1.
What is the InChIKey of 5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine?
The InChIKey is PGARQFDGASJZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3S2/c6-5(7,8)4-3-9-1-2-10-4/h3H,1-2H2.
What are the key properties of 5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine?
5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine has a molecular weight of 186.22 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2,3-dihydro-1,4-dithiine is sourced from PubChem (CID 15720767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).