1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide

C7H15F2NO2S — CID 58435937

IUPAC1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO2S/c1-5(2)10(6(3)4)13(11,12)7(8)9/h5-7H,1-4H3
InChIKeyRKBWULQNSXEBCD-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.66
Rot. Bonds4

About 1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide

1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide (PubChem CID 58435937) has the molecular formula C7H15F2NO2S and a molecular weight of 215.27 g/mol. Its IUPAC name is 1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide
PubChem CID58435937
Molecular FormulaC7H15F2NO2S
Molecular Weight215.27 g/mol
Exact Mass215.08
IUPAC Name1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide
SMILESCC(C)N(C(C)C)S(=O)(=O)C(F)F
InChIInChI=1S/C7H15F2NO2S/c1-5(2)10(6(3)4)13(11,12)7(8)9/h5-7H,1-4H3
InChIKeyRKBWULQNSXEBCD-UHFFFAOYSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diisopropylmethanesulfonamide
CID 284325
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-(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-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-difluoro-N,N-di(propan-2-yl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide (CID 58435937) is 1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide is CC(C)N(C(C)C)S(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide?
The InChIKey is RKBWULQNSXEBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO2S/c1-5(2)10(6(3)4)13(11,12)7(8)9/h5-7H,1-4H3.
What are the key properties of 1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide?
1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N,N-di(propan-2-yl)methanesulfonamide is sourced from PubChem (CID 58435937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).