sulfuryl dichloride;3,3,3-trifluoropropylbenzene

C9H9Cl2F3O2S — CID 174656156

IUPACsulfuryl dichloride;3,3,3-trifluoropropylbenzene
SMILESFC(F)(F)CCc1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C9H9F3.Cl2O2S/c10-9(11,12)7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5H,6-7H2;
InChIKeyXPABXSMSRXUWEX-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.89
Rot. Bonds2

About sulfuryl dichloride;3,3,3-trifluoropropylbenzene

sulfuryl dichloride;3,3,3-trifluoropropylbenzene (PubChem CID 174656156) has the molecular formula C9H9Cl2F3O2S and a molecular weight of 309.14 g/mol. Its IUPAC name is sulfuryl dichloride;3,3,3-trifluoropropylbenzene.

Molecular Properties

Compound Namesulfuryl dichloride;3,3,3-trifluoropropylbenzene
PubChem CID174656156
Molecular FormulaC9H9Cl2F3O2S
Molecular Weight309.14 g/mol
Exact Mass307.97
IUPAC Namesulfuryl dichloride;3,3,3-trifluoropropylbenzene
SMILESFC(F)(F)CCc1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C9H9F3.Cl2O2S/c10-9(11,12)7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5H,6-7H2;
InChIKeyXPABXSMSRXUWEX-UHFFFAOYSA-N
XLogP3.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381
[3-(benzenesulfonyl)-3,3-difluoropropyl]benzene
CID 11335440
4-(3,3,3-trifluoropropyl)benzenesulfonic acid
CID 22621208
1-phenoxy-4-(3,3,3-trifluoropropyl)benzene
CID 13188955
(6-chloro-3,3,4,4,5,5,6,6-octafluorohexyl)benzene
CID 15485608
(3,3-dichloro-5-phenylpentyl)benzene
CID 11033683
[2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene
CID 141041544
sulfuryl dichloride;2,2,2-trifluoroethoxybenzene
CID 87396424
[4-(3,3,3-trifluoropropyl)phenyl]methanamine
CID 126844791
4-phenylbutane-1-sulfonyl chloride
CID 13237419
2-(trichloromethylsulfonyl)ethylbenzene
CID 90481896
2,2-dimethyl-4-phenylbutanoyl chloride
CID 121009879

Frequently Asked Questions

What is the IUPAC name of sulfuryl dichloride;3,3,3-trifluoropropylbenzene?
The IUPAC name of sulfuryl dichloride;3,3,3-trifluoropropylbenzene (CID 174656156) is sulfuryl dichloride;3,3,3-trifluoropropylbenzene.
What is the SMILES notation for sulfuryl dichloride;3,3,3-trifluoropropylbenzene?
The canonical SMILES for sulfuryl dichloride;3,3,3-trifluoropropylbenzene is FC(F)(F)CCc1ccccc1.O=S(=O)(Cl)Cl.
What is the InChIKey of sulfuryl dichloride;3,3,3-trifluoropropylbenzene?
The InChIKey is XPABXSMSRXUWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3.Cl2O2S/c10-9(11,12)7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5H,6-7H2;.
What are the key properties of sulfuryl dichloride;3,3,3-trifluoropropylbenzene?
sulfuryl dichloride;3,3,3-trifluoropropylbenzene has a molecular weight of 309.14 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuryl dichloride;3,3,3-trifluoropropylbenzene is sourced from PubChem (CID 174656156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).