[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide

C9H16F3NO4S — CID 65005853

IUPAC[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COCC(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO4S/c10-9(11,12)6-17-5-8(7-18(13,14)15)1-3-16-4-2-8/h1-7H2,(H2,13,14,15)
InChIKeyDKERQWUSXRUGML-UHFFFAOYSA-N
MW291.29 g/mol
LogP0.65
Rot. Bonds5

About [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide

[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide (PubChem CID 65005853) has the molecular formula C9H16F3NO4S and a molecular weight of 291.29 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide
PubChem CID65005853
Molecular FormulaC9H16F3NO4S
Molecular Weight291.29 g/mol
Exact Mass291.08
IUPAC Name[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1(COCC(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO4S/c10-9(11,12)6-17-5-8(7-18(13,14)15)1-3-16-4-2-8/h1-7H2,(H2,13,14,15)
InChIKeyDKERQWUSXRUGML-UHFFFAOYSA-N
XLogP0.65
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,2,2-trifluoroethoxymethyl)cyclohexyl]methanesulfonamide
CID 65006896
[4-[2-(2-methylpropoxy)ethoxymethyl]oxan-4-yl]methanesulfonamide
CID 106450636
[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonamide
CID 82010399
[4-[(4-methylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide
CID 65005951
[4-[(3,5-dimethylcyclohexyl)oxymethyl]oxan-4-yl]methanesulfonamide
CID 65006202
4-(bromomethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]oxane
CID 66050172
[4-[(2,3-difluorophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006053
[4-[(2-fluoro-5-methylphenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006250
[4-[(2-chloro-4-fluorophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006045
[4-[(2,4-dibromophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006201
[1-(2-methylpentoxymethyl)cyclohexyl]methanesulfonamide
CID 103285991
[4-[(2-bromo-4-chlorophenoxy)methyl]oxan-4-yl]methanesulfonamide
CID 65006488

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide?
The IUPAC name of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide (CID 65005853) is [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide.
What is the SMILES notation for [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide?
The canonical SMILES for [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide is NS(=O)(=O)CC1(COCC(F)(F)F)CCOCC1.
What is the InChIKey of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide?
The InChIKey is DKERQWUSXRUGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO4S/c10-9(11,12)6-17-5-8(7-18(13,14)15)1-3-16-4-2-8/h1-7H2,(H2,13,14,15).
What are the key properties of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide?
[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide has a molecular weight of 291.29 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonamide is sourced from PubChem (CID 65005853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).