2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine

C11H15F2NO3S — CID 62347537

IUPAC2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine
SMILESCCNCCOc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H15F2NO3S/c1-2-14-7-8-17-9-3-5-10(6-4-9)18(15,16)11(12)13/h3-6,11,14H,2,7-8H2,1H3
InChIKeyARFHOOHSJCSJQB-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.67
Rot. Bonds7

About 2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine

2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine (PubChem CID 62347537) has the molecular formula C11H15F2NO3S and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine
PubChem CID62347537
Molecular FormulaC11H15F2NO3S
Molecular Weight279.31 g/mol
Exact Mass279.07
IUPAC Name2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine
SMILESCCNCCOc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C11H15F2NO3S/c1-2-14-7-8-17-9-3-5-10(6-4-9)18(15,16)11(12)13/h3-6,11,14H,2,7-8H2,1H3
InChIKeyARFHOOHSJCSJQB-UHFFFAOYSA-N
XLogP1.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Mesdopetam
CID 70980485
4-[2-[4-(Trifluoromethoxy)phenyl]sulfonylethyl]morpholine
CID 2820865
N,N-diethyl-4-{2-[(methylsulfonyl)amino]ethoxy}benzenesulfonamide
CID 4919367
(E)-3-fluoro-4-(4-methylsulfanylphenoxy)but-2-en-1-amine
CID 42624286
(E)-2-((4-((2,2-dimethyl-3-morpholinopropyl)sulfonyl)phenoxy) methyl)-3-fluoroprop-2-en-1-amine
CID 156339880
(E)-3-fluoro-2-((4-(((2-methoxyethoxy)methyl)sulfonyl) phenoxy)methyl)prop-2-en-1-amine
CID 156340045
(E)-3-fluoro-2-((4-((methoxymethyl)sulfonyl)phenoxy) methyl)prop-2-en-1-amine
CID 156362714
(E)-3-fluoro-2-((3-fluoro-4-((2-methyl-3-morpholinopropyl)sulfonyl)phenoxy) methyl)prop-2-en-1-amine
CID 156362723
(S,E)-3-fluoro-2-((4-((2-methyl-3-morpholinopropyl)sulfonyl)phenoxy) methyl)prop-2-en-1-amine
CID 156362756
(R,E)-3-fluoro-2-((4-((2-methyl-3-morpholinopropyl)sulfonyl)phenoxy) methyl)prop-2-en-1-amine
CID 156362777
1-(2-Aminoethoxy)-4-methanesulfonylbenzene
CID 43806902
N-(2-phenoxyethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3481772

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine (CID 62347537) is 2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine is CCNCCOc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine?
The InChIKey is ARFHOOHSJCSJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3S/c1-2-14-7-8-17-9-3-5-10(6-4-9)18(15,16)11(12)13/h3-6,11,14H,2,7-8H2,1H3.
What are the key properties of 2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine?
2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine has a molecular weight of 279.31 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)phenoxy]-N-ethylethanamine is sourced from PubChem (CID 62347537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).