2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine

C9H11F2NO3S — CID 62349233

IUPAC2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine
SMILESNCCOc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C9H11F2NO3S/c10-9(11)16(13,14)8-3-1-7(2-4-8)15-6-5-12/h1-4,9H,5-6,12H2
InChIKeyVQRMRMHZYZZUPX-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.02
Rot. Bonds5

About 2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine

2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine (PubChem CID 62349233) has the molecular formula C9H11F2NO3S and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine
PubChem CID62349233
Molecular FormulaC9H11F2NO3S
Molecular Weight251.25 g/mol
Exact Mass251.04
IUPAC Name2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine
SMILESNCCOc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C9H11F2NO3S/c10-9(11)16(13,14)8-3-1-7(2-4-8)15-6-5-12/h1-4,9H,5-6,12H2
InChIKeyVQRMRMHZYZZUPX-UHFFFAOYSA-N
XLogP1.02
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-[4-(difluoromethylsulfonyl)phenyl]hydroxylamine
CID 79421360
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
4-(2-aminoethoxy)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81064529
4-(difluoromethylsulfonyl)aniline
CID 825467
2-(4-chlorophenoxy)-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 8503445
[4-(2-aminoethoxy)phenyl]-[4-[4-[4-(2-aminoethoxy)phenyl]sulfonylphenoxy]phenyl]methanone
CID 58399710
4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106068700
4-(difluoromethylsulfonyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898286
4-(2-aminoethoxy)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064727
4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078716
4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212
4-(2-aminoethoxy)-N-piperidin-1-ylbenzenesulfonamide
CID 106075236

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine (CID 62349233) is 2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine is NCCOc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine?
The InChIKey is VQRMRMHZYZZUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3S/c10-9(11)16(13,14)8-3-1-7(2-4-8)15-6-5-12/h1-4,9H,5-6,12H2.
What are the key properties of 2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine?
2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine has a molecular weight of 251.25 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine is sourced from PubChem (CID 62349233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).