1-(dimethylamino)-4-fluorosulfonyloxybenzene

C8H10FNO3S — CID 86104490

IUPAC1-(dimethylamino)-4-fluorosulfonyloxybenzene
SMILESCN(C)c1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C8H10FNO3S/c1-10(2)7-3-5-8(6-4-7)13-14(9,11)12/h3-6H,1-2H3
InChIKeyBHGCJYTVKVBMIE-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.35
Rot. Bonds3

About 1-(dimethylamino)-4-fluorosulfonyloxybenzene

1-(dimethylamino)-4-fluorosulfonyloxybenzene (PubChem CID 86104490) has the molecular formula C8H10FNO3S and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(dimethylamino)-4-fluorosulfonyloxybenzene.

Molecular Properties

Compound Name1-(dimethylamino)-4-fluorosulfonyloxybenzene
PubChem CID86104490
Molecular FormulaC8H10FNO3S
Molecular Weight219.24 g/mol
Exact Mass219.04
IUPAC Name1-(dimethylamino)-4-fluorosulfonyloxybenzene
SMILESCN(C)c1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C8H10FNO3S/c1-10(2)7-3-5-8(6-4-7)13-14(9,11)12/h3-6H,1-2H3
InChIKeyBHGCJYTVKVBMIE-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4-fluorosulfonyloxybenzene?
The IUPAC name of 1-(dimethylamino)-4-fluorosulfonyloxybenzene (CID 86104490) is 1-(dimethylamino)-4-fluorosulfonyloxybenzene.
What is the SMILES notation for 1-(dimethylamino)-4-fluorosulfonyloxybenzene?
The canonical SMILES for 1-(dimethylamino)-4-fluorosulfonyloxybenzene is CN(C)c1ccc(OS(=O)(=O)F)cc1.
What is the InChIKey of 1-(dimethylamino)-4-fluorosulfonyloxybenzene?
The InChIKey is BHGCJYTVKVBMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO3S/c1-10(2)7-3-5-8(6-4-7)13-14(9,11)12/h3-6H,1-2H3.
What are the key properties of 1-(dimethylamino)-4-fluorosulfonyloxybenzene?
1-(dimethylamino)-4-fluorosulfonyloxybenzene has a molecular weight of 219.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4-fluorosulfonyloxybenzene is sourced from PubChem (CID 86104490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).