4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one

C5H7F3O3S — CID 144590416

IUPAC4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(CCS(F)(F)F)O1
InChIInChI=1S/C5H7F3O3S/c6-12(7,8)2-1-4-3-10-5(9)11-4/h4H,1-3H2
InChIKeyBOBYYEQAXXYPNN-UHFFFAOYSA-N
MW204.17 g/mol
LogP2.37
Rot. Bonds3

About 4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one

4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one (PubChem CID 144590416) has the molecular formula C5H7F3O3S and a molecular weight of 204.17 g/mol. Its IUPAC name is 4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one
PubChem CID144590416
Molecular FormulaC5H7F3O3S
Molecular Weight204.17 g/mol
Exact Mass204.01
IUPAC Name4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(CCS(F)(F)F)O1
InChIInChI=1S/C5H7F3O3S/c6-12(7,8)2-1-4-3-10-5(9)11-4/h4H,1-3H2
InChIKeyBOBYYEQAXXYPNN-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-1,3-dioxolan-2-one
CID 162009451
4-(3-methylbutyl)-1,3-dioxolan-2-one
CID 138595323
(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384
4-(aminomethyl)-1,3-dioxolan-2-one
CID 22011126
(4R)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 11819074
4-(bromomethyl)-1,3-dioxolan-2-one
CID 13226941
4-octadecyl-1,3-dioxolan-2-one
CID 139653097
4-[2-[dichloro(methyl)silyl]ethyl]-1,3-dioxolan-2-one
CID 123515532
(4S)-4-octyl-1,3-dioxolan-2-one
CID 129382353
(4R)-4-hexyl-1,3-dioxolan-2-one
CID 15403459
bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate
CID 165178075
4-(oxiran-2-ylmethoxymethyl)-1,3-dioxolan-2-one
CID 13170397

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one (CID 144590416) is 4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one is O=C1OCC(CCS(F)(F)F)O1.
What is the InChIKey of 4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one?
The InChIKey is BOBYYEQAXXYPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3S/c6-12(7,8)2-1-4-3-10-5(9)11-4/h4H,1-3H2.
What are the key properties of 4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one?
4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one has a molecular weight of 204.17 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoro-λ4-sulfanyl)ethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 144590416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).