N-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide

C5H12F2N2O3S — CID 63766572

IUPACN-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide
SMILESNCCOCCNS(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O3S/c6-5(7)13(10,11)9-2-4-12-3-1-8/h5,9H,1-4,8H2
InChIKeyFELYCUQCDIHFBT-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.90
Rot. Bonds7

About N-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide

N-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide (PubChem CID 63766572) has the molecular formula C5H12F2N2O3S and a molecular weight of 218.22 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide
PubChem CID63766572
Molecular FormulaC5H12F2N2O3S
Molecular Weight218.22 g/mol
Exact Mass218.05
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide
SMILESNCCOCCNS(=O)(=O)C(F)F
InChIInChI=1S/C5H12F2N2O3S/c6-5(7)13(10,11)9-2-4-12-3-1-8/h5,9H,1-4,8H2
InChIKeyFELYCUQCDIHFBT-UHFFFAOYSA-N
XLogP-0.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide (CID 63766572) is N-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide is NCCOCCNS(=O)(=O)C(F)F.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide?
The InChIKey is FELYCUQCDIHFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F2N2O3S/c6-5(7)13(10,11)9-2-4-12-3-1-8/h5,9H,1-4,8H2.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide?
N-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide has a molecular weight of 218.22 g/mol, XLogP of -0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 63766572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).