N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide

C8H16F3NO3S — CID 87729367

IUPACN-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide
SMILESCC(C)C(OCCNS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-6(2)7(8(9,10)11)15-5-4-12-16(3,13)14/h6-7,12H,4-5H2,1-3H3
InChIKeyFLLZXOKRJUURCB-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.14
Rot. Bonds6

About N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide

N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide (PubChem CID 87729367) has the molecular formula C8H16F3NO3S and a molecular weight of 263.28 g/mol. Its IUPAC name is N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide
PubChem CID87729367
Molecular FormulaC8H16F3NO3S
Molecular Weight263.28 g/mol
Exact Mass263.08
IUPAC NameN-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide
SMILESCC(C)C(OCCNS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C8H16F3NO3S/c1-6(2)7(8(9,10)11)15-5-4-12-16(3,13)14/h6-7,12H,4-5H2,1-3H3
InChIKeyFLLZXOKRJUURCB-UHFFFAOYSA-N
XLogP1.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide?
The IUPAC name of N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide (CID 87729367) is N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide?
The canonical SMILES for N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide is CC(C)C(OCCNS(C)(=O)=O)C(F)(F)F.
What is the InChIKey of N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide?
The InChIKey is FLLZXOKRJUURCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO3S/c1-6(2)7(8(9,10)11)15-5-4-12-16(3,13)14/h6-7,12H,4-5H2,1-3H3.
What are the key properties of N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide?
N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide has a molecular weight of 263.28 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide is sourced from PubChem (CID 87729367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).