2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide

C8H16F3NO3S — CID 65013118

IUPAC2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide
SMILESCCCC(COCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C8H16F3NO3S/c1-2-3-7(5-16(12,13)14)4-15-6-8(9,10)11/h7H,2-6H2,1H3,(H2,12,13,14)
InChIKeyCVSBCYGWZBDBQR-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.27
Rot. Bonds7

About 2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide

2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide (PubChem CID 65013118) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide
PubChem CID65013118
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide
SMILESCCCC(COCC(F)(F)F)CS(N)(=O)=O
InChIInChI=1S/C8H16F3NO3S/c1-2-3-7(5-16(12,13)14)4-15-6-8(9,10)11/h7H,2-6H2,1H3,(H2,12,13,14)
InChIKeyCVSBCYGWZBDBQR-UHFFFAOYSA-N
XLogP1.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2,2,2-trifluoroethoxymethyl)heptane
CID 139669708
2-(3,3-dimethylbutoxymethyl)pentane-1-sulfonamide
CID 66227328
2-(phenylmethoxymethyl)pentane-1-sulfonamide
CID 65013117
2-[(4-bromophenyl)methoxymethyl]pentane-1-sulfonamide
CID 82827167
2-propylheptane-1-sulfonamide
CID 87086991
2-[(4-fluorophenoxy)methyl]pentane-1-sulfonamide
CID 65012609
2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106705854
2-[(2-methylphenoxy)methyl]pentane-1-sulfonamide
CID 65012608
1-(2,2,2-trifluoroethoxy)octan-2-amine
CID 103214891
2-[(4-bromophenoxy)methyl]pentane-1-sulfonamide
CID 65013265
2-[(4-chlorophenoxy)methyl]pentane-1-sulfonamide
CID 65012504
2-[(2,4,5-trichlorophenoxy)methyl]pentane-1-sulfonamide
CID 65013064

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide (CID 65013118) is 2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide is CCCC(COCC(F)(F)F)CS(N)(=O)=O.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide?
The InChIKey is CVSBCYGWZBDBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-2-3-7(5-16(12,13)14)4-15-6-8(9,10)11/h7H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide?
2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide has a molecular weight of 263.28 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide is sourced from PubChem (CID 65013118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).