1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide

C6H12F3NO3S — CID 165000567

IUPAC1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide
SMILESCCC(CNS(=O)(=O)C(F)(F)F)OC
InChIInChI=1S/C6H12F3NO3S/c1-3-5(13-2)4-10-14(11,12)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyMXFDTOFTKNUFHC-UHFFFAOYSA-N
MW235.23 g/mol
LogP0.85
Rot. Bonds5

About 1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide

1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide (PubChem CID 165000567) has the molecular formula C6H12F3NO3S and a molecular weight of 235.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide
PubChem CID165000567
Molecular FormulaC6H12F3NO3S
Molecular Weight235.23 g/mol
Exact Mass235.05
IUPAC Name1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide
SMILESCCC(CNS(=O)(=O)C(F)(F)F)OC
InChIInChI=1S/C6H12F3NO3S/c1-3-5(13-2)4-10-14(11,12)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyMXFDTOFTKNUFHC-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,2,2,3,3,4,4,4-Nonafluoro-N-(2-methoxyethyl)-1-butanesulfonamide
CID 85816085
1,1,1-trifluoro-N-(1-methoxybutan-2-yl)methanesulfonamide
CID 166446329
N-(3-Methoxypropyl)trifluoromethanesulfonamide
CID 15859447
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
1,1,1-trifluoro-N-(2-hydroxybutyl)methanesulfonamide
CID 116243376
1,1,1-trifluoro-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 117860227
N-[2-(1-fluoropropan-2-yloxy)ethyl]methanesulfonamide
CID 121481068
N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]methanesulfonamide
CID 121481173
2-Methoxyethylazanium;trifluoromethanesulfonate
CID 141412875
1,1,1-trifluoro-N-(3-propan-2-yloxypropyl)methanesulfonamide
CID 165000568

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide (CID 165000567) is 1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide is CCC(CNS(=O)(=O)C(F)(F)F)OC.
What is the InChIKey of 1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide?
The InChIKey is MXFDTOFTKNUFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO3S/c1-3-5(13-2)4-10-14(11,12)6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide?
1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide has a molecular weight of 235.23 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-(2-methoxybutyl)methanesulfonamide is sourced from PubChem (CID 165000567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).