sulfuryl dichloride;2,2,2-trifluoroethoxybenzene

C8H7Cl2F3O3S — CID 87396424

IUPACsulfuryl dichloride;2,2,2-trifluoroethoxybenzene
SMILESFC(F)(F)COc1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H7F3O.Cl2O2S/c9-8(10,11)6-12-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6H2;
InChIKeyOBCLNPFENNQLIL-UHFFFAOYSA-N
MW311.11 g/mol
LogP3.34
Rot. Bonds2

About sulfuryl dichloride;2,2,2-trifluoroethoxybenzene

sulfuryl dichloride;2,2,2-trifluoroethoxybenzene (PubChem CID 87396424) has the molecular formula C8H7Cl2F3O3S and a molecular weight of 311.11 g/mol. Its IUPAC name is sulfuryl dichloride;2,2,2-trifluoroethoxybenzene.

Molecular Properties

Compound Namesulfuryl dichloride;2,2,2-trifluoroethoxybenzene
PubChem CID87396424
Molecular FormulaC8H7Cl2F3O3S
Molecular Weight311.11 g/mol
Exact Mass309.94
IUPAC Namesulfuryl dichloride;2,2,2-trifluoroethoxybenzene
SMILESFC(F)(F)COc1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C8H7F3O.Cl2O2S/c9-8(10,11)6-12-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6H2;
InChIKeyOBCLNPFENNQLIL-UHFFFAOYSA-N
XLogP3.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenol;2,2,2-trifluoroethoxybenzene
CID 174967121
1,1-difluoro-2-phenoxyethanesulfonic acid
CID 129070528
1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene
CID 146049120
2,2-difluoropropoxybenzene
CID 10997493
3-phenoxypropane-1-sulfonyl chloride
CID 62937989
[4-(2,2,2-trifluoroethoxy)phenyl] benzoate
CID 67206614
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
chlorosulfonyloxymethoxybenzene
CID 55280416
1,1-difluoro-2-phenoxyethanesulfinic acid
CID 91070977
3,3-difluoro-4-phenoxybutanoic acid
CID 105469449
3-(2,2,2-trifluoroethoxy)benzoyl chloride
CID 95928099

Frequently Asked Questions

What is the IUPAC name of sulfuryl dichloride;2,2,2-trifluoroethoxybenzene?
The IUPAC name of sulfuryl dichloride;2,2,2-trifluoroethoxybenzene (CID 87396424) is sulfuryl dichloride;2,2,2-trifluoroethoxybenzene.
What is the SMILES notation for sulfuryl dichloride;2,2,2-trifluoroethoxybenzene?
The canonical SMILES for sulfuryl dichloride;2,2,2-trifluoroethoxybenzene is FC(F)(F)COc1ccccc1.O=S(=O)(Cl)Cl.
What is the InChIKey of sulfuryl dichloride;2,2,2-trifluoroethoxybenzene?
The InChIKey is OBCLNPFENNQLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O.Cl2O2S/c9-8(10,11)6-12-7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6H2;.
What are the key properties of sulfuryl dichloride;2,2,2-trifluoroethoxybenzene?
sulfuryl dichloride;2,2,2-trifluoroethoxybenzene has a molecular weight of 311.11 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuryl dichloride;2,2,2-trifluoroethoxybenzene is sourced from PubChem (CID 87396424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).