1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide

C5H6F3NO2S — CID 139243670

IUPAC1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide
SMILESC=C=CN(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO2S/c1-3-4-9(2)12(10,11)5(6,7)8/h4H,1H2,2H3
InChIKeyHRKWVNCBNBJRKK-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.07
Rot. Bonds2

About 1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide

1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide (PubChem CID 139243670) has the molecular formula C5H6F3NO2S and a molecular weight of 201.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide
PubChem CID139243670
Molecular FormulaC5H6F3NO2S
Molecular Weight201.17 g/mol
Exact Mass201.01
IUPAC Name1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide
SMILESC=C=CN(C)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C5H6F3NO2S/c1-3-4-9(2)12(10,11)5(6,7)8/h4H,1H2,2H3
InChIKeyHRKWVNCBNBJRKK-UHFFFAOYSA-N
XLogP1.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 121234956
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1,1,1-trifluoro-N,N-bis(trimethylstannyl)methanesulfonamide
CID 16693233
N,1,1,1-tetrafluoro-N-methylsulfonylmethanesulfonamide
CID 87434293
N,N-bis(trifluoromethylsulfonyl)sulfamoyl fluoride
CID 142567075
N,N-dimethylmethanamine;silicon(4+);trifluoromethanesulfonate
CID 171924337
lithium N,N-bis(trifluoromethylsulfonyl)sulfamate
CID 153347503
N,N-dimethylmethanamine;silicic acid;trifluoromethanesulfonic acid
CID 174409588
trifluoro(methylsulfonyl)methane
CID 11215049
N,N-dimethyl-N'-(trifluoromethylsulfonyl)methanimidamide
CID 12066207
1,1,1-trifluoro-N-[2-(hydroxyamino)propan-2-yl]-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 126606287
1,1-difluoro-N,N-dimethyl-1-(trioxidanylsulfanyl)methanesulfonamide
CID 59833728

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide (CID 139243670) is 1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide is C=C=CN(C)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide?
The InChIKey is HRKWVNCBNBJRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2S/c1-3-4-9(2)12(10,11)5(6,7)8/h4H,1H2,2H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide?
1,1,1-trifluoro-N-methyl-N-propa-1,2-dienylmethanesulfonamide has a molecular weight of 201.17 g/mol, XLogP of 1.07, 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-propa-1,2-dienylmethanesulfonamide is sourced from PubChem (CID 139243670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).