N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide

C7H14F3NO2S — CID 126630314

IUPACN-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-4-6(3)11(5-2)14(12,13)7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyMGAPWSLQAKNVCU-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.96
Rot. Bonds4

About N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide

N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 126630314) has the molecular formula C7H14F3NO2S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide
PubChem CID126630314
Molecular FormulaC7H14F3NO2S
Molecular Weight233.25 g/mol
Exact Mass233.07
IUPAC NameN-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2S/c1-4-6(3)11(5-2)14(12,13)7(8,9)10/h6H,4-5H2,1-3H3
InChIKeyMGAPWSLQAKNVCU-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide
CID 14663454
N,N-Diethyl-1,1,1-trifluoromethanesulfonamide
CID 17751979
N-diethyldifluoromethanesulfonamide
CID 58436046
1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide
CID 101221539
Ethyl-methyl-di(propan-2-yl)azanium;trifluoromethanesulfonate
CID 11300844
1,1,1-trifluoro-N,N-di(propan-2-yl)methanesulfonamide
CID 17751980
N,N-dibutyl-1,1,1-trifluoromethanesulfonamide
CID 17752786
N-(2,2-difluoroethyl)-N-propan-2-ylmethanesulfonamide
CID 57908245
1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide
CID 58122765
Butan-2-yl(trifluoromethylsulfonyl)azanide
CID 58427691
1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide
CID 58435937
1,1-difluoro-1-oxidoperoxysulfanyl-N,N-di(propan-2-yl)methanesulfonamide
CID 58962012

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide (CID 126630314) is N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide is CCC(C)N(CC)S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is MGAPWSLQAKNVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2S/c1-4-6(3)11(5-2)14(12,13)7(8,9)10/h6H,4-5H2,1-3H3.
What are the key properties of N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide?
N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 233.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 126630314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).