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

C5H6F2S2 — CID 15720768

IUPAC5-(difluoromethyl)-2,3-dihydro-1,4-dithiine
SMILESFC(F)C1=CSCCS1
InChIInChI=1S/C5H6F2S2/c6-5(7)4-3-8-1-2-9-4/h3,5H,1-2H2
InChIKeyGDVFAFMHGCODFZ-UHFFFAOYSA-N
MW168.23 g/mol
LogP2.57
Rot. Bonds1

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

5-(difluoromethyl)-2,3-dihydro-1,4-dithiine (PubChem CID 15720768) has the molecular formula C5H6F2S2 and a molecular weight of 168.23 g/mol. Its IUPAC name is 5-(difluoromethyl)-2,3-dihydro-1,4-dithiine.

Molecular Properties

Compound Name5-(difluoromethyl)-2,3-dihydro-1,4-dithiine
PubChem CID15720768
Molecular FormulaC5H6F2S2
Molecular Weight168.23 g/mol
Exact Mass167.99
IUPAC Name5-(difluoromethyl)-2,3-dihydro-1,4-dithiine
SMILESFC(F)C1=CSCCS1
InChIInChI=1S/C5H6F2S2/c6-5(7)4-3-8-1-2-9-4/h3,5H,1-2H2
InChIKeyGDVFAFMHGCODFZ-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2,2-Trifluoroethylsulfanyl)prop-1-ene
CID 102119345
1,1,1-Trifluoro-2-prop-1-en-2-ylsulfanylpropane
CID 138567434
2,3-Bis(trifluoromethylsulfanyl)prop-1-ene
CID 176274165
5-(Trifluoromethyl)-2,3-dihydro-1,4-dithiine
CID 15720767
(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

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2,3-dihydro-1,4-dithiine?
The IUPAC name of 5-(difluoromethyl)-2,3-dihydro-1,4-dithiine (CID 15720768) is 5-(difluoromethyl)-2,3-dihydro-1,4-dithiine.
What is the SMILES notation for 5-(difluoromethyl)-2,3-dihydro-1,4-dithiine?
The canonical SMILES for 5-(difluoromethyl)-2,3-dihydro-1,4-dithiine is FC(F)C1=CSCCS1.
What is the InChIKey of 5-(difluoromethyl)-2,3-dihydro-1,4-dithiine?
The InChIKey is GDVFAFMHGCODFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2S2/c6-5(7)4-3-8-1-2-9-4/h3,5H,1-2H2.
What are the key properties of 5-(difluoromethyl)-2,3-dihydro-1,4-dithiine?
5-(difluoromethyl)-2,3-dihydro-1,4-dithiine has a molecular weight of 168.23 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2,3-dihydro-1,4-dithiine is sourced from PubChem (CID 15720768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).