N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide

C6H12F3NO3S — CID 121481173

IUPACN-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide
SMILESCC(OCCNS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO3S/c1-5(6(7,8)9)13-4-3-10-14(2,11)12/h5,10H,3-4H2,1-2H3
InChIKeyABMSOUMXPHZRQW-UHFFFAOYSA-N
MW235.23 g/mol
LogP0.50
Rot. Bonds5

About N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide

N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide (PubChem CID 121481173) has the molecular formula C6H12F3NO3S and a molecular weight of 235.23 g/mol. Its IUPAC name is N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide
PubChem CID121481173
Molecular FormulaC6H12F3NO3S
Molecular Weight235.23 g/mol
Exact Mass235.05
IUPAC NameN-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide
SMILESCC(OCCNS(C)(=O)=O)C(F)(F)F
InChIInChI=1S/C6H12F3NO3S/c1-5(6(7,8)9)13-4-3-10-14(2,11)12/h5,10H,3-4H2,1-2H3
InChIKeyABMSOUMXPHZRQW-UHFFFAOYSA-N
XLogP0.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 50.50
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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Related Compounds

1,1,1-Trifluoro-N-(2-methoxyethyl)methanesulfonamide
CID 20571257
1,1,1-trifluoro-N-(2-methoxypropyl)methanesulfonamide
CID 58419559
N-[2-(trifluoromethoxy)ethyl]methanesulfonamide
CID 87444120
N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide
CID 87729367
1,1,1-trifluoro-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 117860227
N-[2-(1-fluoropropan-2-yloxy)ethyl]methanesulfonamide
CID 121481068
1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide
CID 165000567
1,1,1-trifluoro-N-(3-propan-2-yloxypropyl)methanesulfonamide
CID 165000568
1,1-difluoro-N-(2-hydroxypropyl)methanesulfonamide
CID 43502321
N-[2-(2,2,2-trifluoroethoxy)ethyl]methanesulfonamide
CID 60729144
N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-2-sulfonamide
CID 61354855
N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanesulfonamide
CID 61354856

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide (CID 121481173) is N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide is CC(OCCNS(C)(=O)=O)C(F)(F)F.
What is the InChIKey of N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide?
The InChIKey is ABMSOUMXPHZRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO3S/c1-5(6(7,8)9)13-4-3-10-14(2,11)12/h5,10H,3-4H2,1-2H3.
What are the key properties of N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide?
N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide has a molecular weight of 235.23 g/mol, XLogP of 0.50, 5 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-trifluoropropan-2-yloxy)ethyl]methanesulfonamide is sourced from PubChem (CID 121481173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).