1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide

C5H10F3NO2S — CID 14663454

IUPAC1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2)9(3)12(10,11)5(6,7)8/h4H,1-3H3
InChIKeyUVHNRUNZDWMZTJ-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.18
Rot. Bonds2

About 1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide

1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide (PubChem CID 14663454) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide
PubChem CID14663454
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-4(2)9(3)12(10,11)5(6,7)8/h4H,1-3H3
InChIKeyUVHNRUNZDWMZTJ-UHFFFAOYSA-N
XLogP1.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
CID 17856182
N,N-Diethyl-1,1,1-trifluoromethanesulfonamide
CID 17751979
N-ethyl-N-methyl-trifluoromethanesulfonamide
CID 88576394
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-(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
1,1-difluoro-N,N-di(propan-2-yl)-1-(trioxidanylsulfanyl)methanesulfonamide
CID 58962013

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide (CID 14663454) is 1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide is CC(C)N(C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide?
The InChIKey is UVHNRUNZDWMZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-4(2)9(3)12(10,11)5(6,7)8/h4H,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide?
1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide has a molecular weight of 205.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 14663454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).