phenyl 3,3,3-trifluoropropyl sulfite

C9H9F3O3S — CID 87155067

IUPACphenyl 3,3,3-trifluoropropyl sulfite
SMILESO=S(OCCC(F)(F)F)Oc1ccccc1
InChIInChI=1S/C9H9F3O3S/c10-9(11,12)6-7-14-16(13)15-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyIUWCCLQTFLUSMU-UHFFFAOYSA-N
MW254.23 g/mol
LogP2.61
Rot. Bonds5

About phenyl 3,3,3-trifluoropropyl sulfite

phenyl 3,3,3-trifluoropropyl sulfite (PubChem CID 87155067) has the molecular formula C9H9F3O3S and a molecular weight of 254.23 g/mol. Its IUPAC name is phenyl 3,3,3-trifluoropropyl sulfite.

Molecular Properties

Compound Namephenyl 3,3,3-trifluoropropyl sulfite
PubChem CID87155067
Molecular FormulaC9H9F3O3S
Molecular Weight254.23 g/mol
Exact Mass254.02
IUPAC Namephenyl 3,3,3-trifluoropropyl sulfite
SMILESO=S(OCCC(F)(F)F)Oc1ccccc1
InChIInChI=1S/C9H9F3O3S/c10-9(11,12)6-7-14-16(13)15-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyIUWCCLQTFLUSMU-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Hydron phenoxide
CID 20488062
Dietholate
CID 36106
Phenyl nonafluorobutane-1-sulfonate
CID 429733
Potassium phenyl sulfate
CID 23678854
Phenyl chloranesulfonate
CID 10856328
2,4-Difluorophenyl sulfamate
CID 23161084
4-Fluorophenyl Sulfamate
CID 44459223
2,6-Difluorophenyl sulfamate
CID 46882999
3,5-Difluorophenyl sulfamate
CID 46883000
Phenyl fluoranesulfonate
CID 67610
Phenyl Trifluoromethanesulfonate
CID 548641
2-(Trimethylsilyl)phenyl trifluoromethanesulfonate
CID 3384007

Frequently Asked Questions

What is the IUPAC name of phenyl 3,3,3-trifluoropropyl sulfite?
The IUPAC name of phenyl 3,3,3-trifluoropropyl sulfite (CID 87155067) is phenyl 3,3,3-trifluoropropyl sulfite.
What is the SMILES notation for phenyl 3,3,3-trifluoropropyl sulfite?
The canonical SMILES for phenyl 3,3,3-trifluoropropyl sulfite is O=S(OCCC(F)(F)F)Oc1ccccc1.
What is the InChIKey of phenyl 3,3,3-trifluoropropyl sulfite?
The InChIKey is IUWCCLQTFLUSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O3S/c10-9(11,12)6-7-14-16(13)15-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of phenyl 3,3,3-trifluoropropyl sulfite?
phenyl 3,3,3-trifluoropropyl sulfite has a molecular weight of 254.23 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 3,3,3-trifluoropropyl sulfite is sourced from PubChem (CID 87155067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).