1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene

C8H6F4O4S — CID 146049120

IUPAC1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene
SMILESO=S(=O)(F)Oc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C8H6F4O4S/c9-8(10,11)5-15-6-1-3-7(4-2-6)16-17(12,13)14/h1-4H,5H2
InChIKeyDMYQSIWSDFYXSG-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.22
Rot. Bonds4

About 1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene

1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene (PubChem CID 146049120) has the molecular formula C8H6F4O4S and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene
PubChem CID146049120
Molecular FormulaC8H6F4O4S
Molecular Weight274.19 g/mol
Exact Mass273.99
IUPAC Name1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene
SMILESO=S(=O)(F)Oc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C8H6F4O4S/c9-8(10,11)5-15-6-1-3-7(4-2-6)16-17(12,13)14/h1-4H,5H2
InChIKeyDMYQSIWSDFYXSG-UHFFFAOYSA-N
XLogP2.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(fluorosulfonyloxy)benzene
CID 118561819
sulfuryl dichloride;2,2,2-trifluoroethoxybenzene
CID 87396424
1-fluorosulfonyloxy-4-prop-2-enoxybenzene
CID 168819364
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
CID 89284542
CID 89284542
1-bromo-N-[4-(2,2,2-trifluoroethoxy)phenyl]methanesulfonamide
CID 83084147
1-fluorosulfonyloxy-4-(hydroxymethyl)benzene
CID 137402069
1-(2-methoxyethylsulfonylmethyl)-4-(2,2,2-trifluoroethoxy)benzene
CID 86812646
(4-methylphenyl) 2,2,2-trifluoroethyl sulfate
CID 87680463
1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride
CID 170911916
1-(3-iodopropoxy)-4-(2,2,2-trifluoroethoxy)benzene
CID 119093818
1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene
CID 67763209

Frequently Asked Questions

What is the IUPAC name of 1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene (CID 146049120) is 1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene is O=S(=O)(F)Oc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is DMYQSIWSDFYXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O4S/c9-8(10,11)5-15-6-1-3-7(4-2-6)16-17(12,13)14/h1-4H,5H2.
What are the key properties of 1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene?
1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 274.19 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 146049120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).