1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide

C9H19F2NO2S — CID 102912988

IUPAC1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide
SMILESCC(C)C(CNS(=O)(=O)C(F)F)C(C)C
InChIInChI=1S/C9H19F2NO2S/c1-6(2)8(7(3)4)5-12-15(13,14)9(10)11/h6-9,12H,5H2,1-4H3
InChIKeyWDRXPUIOQQYXSA-UHFFFAOYSA-N
MW243.32 g/mol
LogP2.06
Rot. Bonds6

About 1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide

1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide (PubChem CID 102912988) has the molecular formula C9H19F2NO2S and a molecular weight of 243.32 g/mol. Its IUPAC name is 1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide
PubChem CID102912988
Molecular FormulaC9H19F2NO2S
Molecular Weight243.32 g/mol
Exact Mass243.11
IUPAC Name1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide
SMILESCC(C)C(CNS(=O)(=O)C(F)F)C(C)C
InChIInChI=1S/C9H19F2NO2S/c1-6(2)8(7(3)4)5-12-15(13,14)9(10)11/h6-9,12H,5H2,1-4H3
InChIKeyWDRXPUIOQQYXSA-UHFFFAOYSA-N
XLogP2.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethyl-2-propan-2-ylbutyl)-1,1-difluoroethanesulfonamide
CID 58124376
N-(5-amino-3,3-difluoro-4-methyl-2-propan-2-ylpentyl)methanesulfonamide
CID 139357605
N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 163926699
ethane;1,1,1-trifluoro-N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393883
ethane;N-[3-(trifluoromethyl)pentan-2-yl]methanesulfonamide
CID 165393913
N-[2,2-dimethyl-4-(trifluoromethyl)hexan-3-yl]methanesulfonamide
CID 177280010
N-(4-amino-2-ethylbutyl)-1,1-difluoromethanesulfonamide
CID 80313260
N-(4-amino-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059873
N-(2-Ethylhexyl)trifluoromethanesulfonamide
CID 101696867
1,1,1-trifluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide
CID 102913073
3-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 102913101
N-[2-(2-aminoethyl)pentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106116361

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide (CID 102912988) is 1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide is CC(C)C(CNS(=O)(=O)C(F)F)C(C)C.
What is the InChIKey of 1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide?
The InChIKey is WDRXPUIOQQYXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO2S/c1-6(2)8(7(3)4)5-12-15(13,14)9(10)11/h6-9,12H,5H2,1-4H3.
What are the key properties of 1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide?
1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide has a molecular weight of 243.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide is sourced from PubChem (CID 102912988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).