(trifluoro-λ4-sulfanyl) acetate

C2H3F3O2S — CID 87285354

IUPAC(trifluoro-λ4-sulfanyl) acetate
SMILESCC(=O)OS(F)(F)F
InChIInChI=1S/C2H3F3O2S/c1-2(6)7-8(3,4)5/h1H3
InChIKeyVCBFVGVDWANTOQ-UHFFFAOYSA-N
MW148.10 g/mol
LogP1.92
Rot. Bonds1

About (trifluoro-λ4-sulfanyl) acetate

(trifluoro-λ4-sulfanyl) acetate (PubChem CID 87285354) has the molecular formula C2H3F3O2S and a molecular weight of 148.10 g/mol. Its IUPAC name is (trifluoro-λ4-sulfanyl) acetate.

Molecular Properties

Compound Name(trifluoro-λ4-sulfanyl) acetate
PubChem CID87285354
Molecular FormulaC2H3F3O2S
Molecular Weight148.10 g/mol
Exact Mass147.98
IUPAC Name(trifluoro-λ4-sulfanyl) acetate
SMILESCC(=O)OS(F)(F)F
InChIInChI=1S/C2H3F3O2S/c1-2(6)7-8(3,4)5/h1H3
InChIKeyVCBFVGVDWANTOQ-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;hydride;sulfo acetate
CID 173308098
(tripropyl-λ4-sulfanyl) acetate
CID 140685891
silver bis(propan-2-one)
CID 71340648
acetyloxy(trifluoro)boranuide;hydron
CID 165340094
bis(acetyloxysulfonyl) butanedioate
CID 118268236
potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate
CID 174241063
carbonic acid;fluoro acetate
CID 174579483
tetraacetyloxyboranuide
CID 18516386
methyl acetate;ruthenium
CID 160799101
lithium;hydride;methyl fluorosulfonylformate
CID 175482440
2-acetyloxysulfonylethanesulfonic acid
CID 174889510
acetyl acetate;bis(trifluoroborane)
CID 87483459

Frequently Asked Questions

What is the IUPAC name of (trifluoro-λ4-sulfanyl) acetate?
The IUPAC name of (trifluoro-λ4-sulfanyl) acetate (CID 87285354) is (trifluoro-λ4-sulfanyl) acetate.
What is the SMILES notation for (trifluoro-λ4-sulfanyl) acetate?
The canonical SMILES for (trifluoro-λ4-sulfanyl) acetate is CC(=O)OS(F)(F)F.
What is the InChIKey of (trifluoro-λ4-sulfanyl) acetate?
The InChIKey is VCBFVGVDWANTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O2S/c1-2(6)7-8(3,4)5/h1H3.
What are the key properties of (trifluoro-λ4-sulfanyl) acetate?
(trifluoro-λ4-sulfanyl) acetate has a molecular weight of 148.10 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (trifluoro-λ4-sulfanyl) acetate is sourced from PubChem (CID 87285354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).