1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide

C5H10F3NO4S — CID 62498946

IUPAC1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide
SMILESO=S(=O)(NCCOCCO)C(F)(F)F
InChIInChI=1S/C5H10F3NO4S/c6-5(7,8)14(11,12)9-1-3-13-4-2-10/h9-10H,1-4H2
InChIKeyMWIIOUMMDYHYRO-UHFFFAOYSA-N
MW237.20 g/mol
LogP-0.57
Rot. Bonds6

About 1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide

1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide (PubChem CID 62498946) has the molecular formula C5H10F3NO4S and a molecular weight of 237.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide
PubChem CID62498946
Molecular FormulaC5H10F3NO4S
Molecular Weight237.20 g/mol
Exact Mass237.03
IUPAC Name1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide
SMILESO=S(=O)(NCCOCCO)C(F)(F)F
InChIInChI=1S/C5H10F3NO4S/c6-5(7,8)14(11,12)9-1-3-13-4-2-10/h9-10H,1-4H2
InChIKeyMWIIOUMMDYHYRO-UHFFFAOYSA-N
XLogP-0.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 5-0.57
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 1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide (CID 62498946) is 1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide is O=S(=O)(NCCOCCO)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide?
The InChIKey is MWIIOUMMDYHYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO4S/c6-5(7,8)14(11,12)9-1-3-13-4-2-10/h9-10H,1-4H2.
What are the key properties of 1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide has a molecular weight of 237.20 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide is sourced from PubChem (CID 62498946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).