1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide

C7H14F3NO4S — CID 102441605

IUPAC1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO4S/c1-14-5-3-11(4-6-15-2)16(12,13)7(8,9)10/h3-6H2,1-2H3
InChIKeyXFHLPJNDSQCZJP-UHFFFAOYSA-N
MW265.25 g/mol
LogP0.43
Rot. Bonds7

About 1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide

1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide (PubChem CID 102441605) has the molecular formula C7H14F3NO4S and a molecular weight of 265.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide
PubChem CID102441605
Molecular FormulaC7H14F3NO4S
Molecular Weight265.25 g/mol
Exact Mass265.06
IUPAC Name1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO4S/c1-14-5-3-11(4-6-15-2)16(12,13)7(8,9)10/h3-6H2,1-2H3
InChIKeyXFHLPJNDSQCZJP-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide (CID 102441605) is 1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide is COCCN(CCOC)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide?
The InChIKey is XFHLPJNDSQCZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO4S/c1-14-5-3-11(4-6-15-2)16(12,13)7(8,9)10/h3-6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide?
1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide has a molecular weight of 265.25 g/mol, XLogP of 0.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,N-bis(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 102441605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).