methyl 3,3,3-trifluoropropyl sulfite

C4H7F3O3S — CID 87154870

IUPACmethyl 3,3,3-trifluoropropyl sulfite
SMILESCOS(=O)OCCC(F)(F)F
InChIInChI=1S/C4H7F3O3S/c1-9-11(8)10-3-2-4(5,6)7/h2-3H2,1H3
InChIKeyGLLCZOXJEFDUJP-UHFFFAOYSA-N
MW192.16 g/mol
LogP1.18
Rot. Bonds4

About methyl 3,3,3-trifluoropropyl sulfite

methyl 3,3,3-trifluoropropyl sulfite (PubChem CID 87154870) has the molecular formula C4H7F3O3S and a molecular weight of 192.16 g/mol. Its IUPAC name is methyl 3,3,3-trifluoropropyl sulfite.

Molecular Properties

Compound Namemethyl 3,3,3-trifluoropropyl sulfite
PubChem CID87154870
Molecular FormulaC4H7F3O3S
Molecular Weight192.16 g/mol
Exact Mass192.01
IUPAC Namemethyl 3,3,3-trifluoropropyl sulfite
SMILESCOS(=O)OCCC(F)(F)F
InChIInChI=1S/C4H7F3O3S/c1-9-11(8)10-3-2-4(5,6)7/h2-3H2,1H3
InChIKeyGLLCZOXJEFDUJP-UHFFFAOYSA-N
XLogP1.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3,3,3-trifluoropropyl sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(2,2,2-trifluoroethyl) sulfite
CID 318171
Bis(2,2,3,3-tetrafluoropropyl) sulfite
CID 13709358
3,3,3-Trifluoropropyl sulfite
CID 17910024
2,3-Difluoropropyl sulfite
CID 17910050
2,2-Difluoropropyl sulfite
CID 17910071
2-Fluoropropyl sulfite
CID 17910111
Methyl 2,2,2-trifluoroethyl sulfite
CID 20665378
Ethyl 2,2,2-trifluoroethyl sulfate
CID 22001137
2,2,3,3,3-Pentafluoropropyl 2,2,2-trifluoroethyl sulfite
CID 87154541
Ethyl 2,2,3,3,3-pentafluoropropyl sulfate
CID 87154787
Ethyl 1,2,2-trifluoroethenyl sulfite
CID 87154829
2,2,2-Trifluoroethyl 3,3,3-trifluoropropyl sulfite
CID 87154902

Frequently Asked Questions

What is the IUPAC name of methyl 3,3,3-trifluoropropyl sulfite?
The IUPAC name of methyl 3,3,3-trifluoropropyl sulfite (CID 87154870) is methyl 3,3,3-trifluoropropyl sulfite.
What is the SMILES notation for methyl 3,3,3-trifluoropropyl sulfite?
The canonical SMILES for methyl 3,3,3-trifluoropropyl sulfite is COS(=O)OCCC(F)(F)F.
What is the InChIKey of methyl 3,3,3-trifluoropropyl sulfite?
The InChIKey is GLLCZOXJEFDUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O3S/c1-9-11(8)10-3-2-4(5,6)7/h2-3H2,1H3.
What are the key properties of methyl 3,3,3-trifluoropropyl sulfite?
methyl 3,3,3-trifluoropropyl sulfite has a molecular weight of 192.16 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3,3-trifluoropropyl sulfite is sourced from PubChem (CID 87154870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).