2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide

C10H12F8O4S2 — CID 158001040

IUPAC2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC(C(F)(F)F)CC1F.O=S1(=O)CC(F)C(C(F)(F)F)C1
InChIInChI=1S/2C5H6F4O2S/c6-4-2-12(10,11)1-3(4)5(7,8)9;6-4-1-3(5(7,8)9)2-12(4,10)11/h2*3-4H,1-2H2
InChIKeyFDSVMBDNTDYPFH-UHFFFAOYSA-N
MW412.32 g/mol
LogP2.21
Rot. Bonds

About 2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide

2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide (PubChem CID 158001040) has the molecular formula C10H12F8O4S2 and a molecular weight of 412.32 g/mol. Its IUPAC name is 2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide
PubChem CID158001040
Molecular FormulaC10H12F8O4S2
Molecular Weight412.32 g/mol
Exact Mass412.00
IUPAC Name2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC(C(F)(F)F)CC1F.O=S1(=O)CC(F)C(C(F)(F)F)C1
InChIInChI=1S/2C5H6F4O2S/c6-4-2-12(10,11)1-3(4)5(7,8)9;6-4-1-3(5(7,8)9)2-12(4,10)11/h2*3-4H,1-2H2
InChIKeyFDSVMBDNTDYPFH-UHFFFAOYSA-N
XLogP2.21
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(Trifluoromethylsulfonyloxy)thiolan-1-yl]thiolan-1-yl] trifluoromethanesulfonate
CID 134882239
2,2,3,4,5-Pentafluorothiolane 1,1-dioxide;2,3,3,4,4-pentafluorothiolane 1,1-dioxide
CID 118020485
2-Fluoro-3-(trifluoromethyl)thiolane 1,1-dioxide;2-(trifluoromethyl)thiolane 1,1-dioxide;3-(trifluoromethyl)thiolane 1,1-dioxide
CID 158384352
Iron(2+);bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);thiolane
CID 158711994
3-(Difluoromethyl)-2-fluorothiolane 1,1-dioxide;2-(difluoromethyl)thiolane 1,1-dioxide;3-(difluoromethyl)thiolane 1,1-dioxide
CID 160140073
2,2,3,4,4-Pentafluoro-3-(fluoromethyl)thiolane 1,1-dioxide;2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane 1,1-dioxide
CID 161529243
4-(Difluoromethyl)-2,2,4,5-tetrafluorothiolane 1,1-dioxide;4-(difluoromethyl)-2,3,3,4-tetrafluorothiolane 1,1-dioxide
CID 174784857
2,2,4,5-Tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-(trifluoromethyl)thiolane 1,1-dioxide
CID 174784959
3-(Difluoromethyl)-2,3,4,4-tetrafluorothiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 175415039
2,2,4,5-Tetrafluoro-4-methylthiolane 1,1-dioxide;2,3,3,4-tetrafluoro-4-methylthiolane 1,1-dioxide
CID 175415040
3-Methanesulfonyl-4-(trifluoromethyl)thiolane
CID 137966045
3-Fluoro-4-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 157168370

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide?
The IUPAC name of 2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide (CID 158001040) is 2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide is O=S1(=O)CC(C(F)(F)F)CC1F.O=S1(=O)CC(F)C(C(F)(F)F)C1.
What is the InChIKey of 2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide?
The InChIKey is FDSVMBDNTDYPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6F4O2S/c6-4-2-12(10,11)1-3(4)5(7,8)9;6-4-1-3(5(7,8)9)2-12(4,10)11/h2*3-4H,1-2H2.
What are the key properties of 2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide?
2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide has a molecular weight of 412.32 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide;3-fluoro-4-(trifluoromethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 158001040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).