4-(difluoromethyl)-2,3,3-trifluorothiolane

C5H5F5S — CID 66729810

IUPAC4-(difluoromethyl)-2,3,3-trifluorothiolane
SMILESFC(F)C1CSC(F)C1(F)F
InChIInChI=1S/C5H5F5S/c6-3(7)2-1-11-4(8)5(2,9)10/h2-4H,1H2
InChIKeyLBQWWTYMWOBKRX-UHFFFAOYSA-N
MW192.15 g/mol
LogP2.55
Rot. Bonds1

About 4-(difluoromethyl)-2,3,3-trifluorothiolane

4-(difluoromethyl)-2,3,3-trifluorothiolane (PubChem CID 66729810) has the molecular formula C5H5F5S and a molecular weight of 192.15 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,3,3-trifluorothiolane.

Molecular Properties

Compound Name4-(difluoromethyl)-2,3,3-trifluorothiolane
PubChem CID66729810
Molecular FormulaC5H5F5S
Molecular Weight192.15 g/mol
Exact Mass192.00
IUPAC Name4-(difluoromethyl)-2,3,3-trifluorothiolane
SMILESFC(F)C1CSC(F)C1(F)F
InChIInChI=1S/C5H5F5S/c6-3(7)2-1-11-4(8)5(2,9)10/h2-4H,1H2
InChIKeyLBQWWTYMWOBKRX-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Trifluoromethyl)thiolane
CID 54429721
1-(1,1,2,2,3,3,3-Heptafluoropropyl)thiolan-1-ium
CID 20802168
2,2,4,4-Tetrafluorothiolane
CID 22483436
2,2,3-Trifluoro-3-methylthiolane
CID 66729784
2,4-Difluoro-4-(fluoromethyl)thiolane
CID 66729796
2,3,5-Trifluoro-4-methylthiolane
CID 66729807
3,3-Difluoro-4-methylthiolane
CID 66729839
2,2,5-Trifluoro-3-methylthiolane
CID 66729844
2,2,3-Trifluoro-4-(fluoromethyl)thiolane
CID 66729846
3,3,4-Trifluoro-4-methylthiolane
CID 66729853
2,5-Difluoro-3-(fluoromethyl)thiolane
CID 66729859
2,3,5-Trifluoro-3-methylthiolane
CID 66729862

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,3,3-trifluorothiolane?
The IUPAC name of 4-(difluoromethyl)-2,3,3-trifluorothiolane (CID 66729810) is 4-(difluoromethyl)-2,3,3-trifluorothiolane.
What is the SMILES notation for 4-(difluoromethyl)-2,3,3-trifluorothiolane?
The canonical SMILES for 4-(difluoromethyl)-2,3,3-trifluorothiolane is FC(F)C1CSC(F)C1(F)F.
What is the InChIKey of 4-(difluoromethyl)-2,3,3-trifluorothiolane?
The InChIKey is LBQWWTYMWOBKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5S/c6-3(7)2-1-11-4(8)5(2,9)10/h2-4H,1H2.
What are the key properties of 4-(difluoromethyl)-2,3,3-trifluorothiolane?
4-(difluoromethyl)-2,3,3-trifluorothiolane has a molecular weight of 192.15 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,3,3-trifluorothiolane is sourced from PubChem (CID 66729810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).