2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide

C5H7F3O2S — CID 66729797

IUPAC2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC(F)(CF)CC1F
InChIInChI=1S/C5H7F3O2S/c6-2-5(8)1-4(7)11(9,10)3-5/h4H,1-3H2
InChIKeyXRZACKMADNFCDZ-UHFFFAOYSA-N
MW188.17 g/mol
LogP0.78
Rot. Bonds1

About 2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide

2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide (PubChem CID 66729797) has the molecular formula C5H7F3O2S and a molecular weight of 188.17 g/mol. Its IUPAC name is 2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide
PubChem CID66729797
Molecular FormulaC5H7F3O2S
Molecular Weight188.17 g/mol
Exact Mass188.01
IUPAC Name2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide
SMILESO=S1(=O)CC(F)(CF)CC1F
InChIInChI=1S/C5H7F3O2S/c6-2-5(8)1-4(7)11(9,10)3-5/h4H,1-3H2
InChIKeyXRZACKMADNFCDZ-UHFFFAOYSA-N
XLogP0.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)tetrahydrothiophene 1,1-dioxide
CID 67291233
(3S,4R)-3,4-difluorothiolane 1,1-dioxide
CID 100930637
3,4-Difluorothiolane 1,1-dioxide
CID 14613666
(3R,4R)-3,4-difluorothiolane 1,1-dioxide
CID 14613667
(3S)-3-(trifluoromethyl)thiolane 1,1-dioxide
CID 162403181
Thiophene, 3-fluorotetrahydro-, 1,1-dioxide
CID 11171005
Thiophene, 3,3-difluorotetrahydro-, 1,1-dioxide
CID 11240618
Thiophene, 2-fluorotetrahydro-, 1,1-dioxide
CID 11367024
2,2,4-Trifluorothiolane 1,1-dioxide
CID 59228904
2,2,3-Trifluoro-3-methylthiolane 1,1-dioxide
CID 66729785
2,3,5-Trifluoro-4-methylthiolane 1,1-dioxide
CID 66729808
4-(Difluoromethyl)-2,3,3-trifluorothiolane 1,1-dioxide
CID 66729811

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide?
The IUPAC name of 2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide (CID 66729797) is 2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide.
What is the SMILES notation for 2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide?
The canonical SMILES for 2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide is O=S1(=O)CC(F)(CF)CC1F.
What is the InChIKey of 2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide?
The InChIKey is XRZACKMADNFCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O2S/c6-2-5(8)1-4(7)11(9,10)3-5/h4H,1-3H2.
What are the key properties of 2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide?
2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide has a molecular weight of 188.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-4-(fluoromethyl)thiolane 1,1-dioxide is sourced from PubChem (CID 66729797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).