N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide

C9H17F2NO2S — CID 130218626

IUPACN-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)C1CC(F)(F)C1
InChIInChI=1S/C9H17F2NO2S/c1-4-12(7(2)3)15(13,14)8-5-9(10,11)6-8/h7-8H,4-6H2,1-3H3
InChIKeyBTVRHFHYLAUQAF-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.84
Rot. Bonds4

About N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide

N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide (PubChem CID 130218626) has the molecular formula C9H17F2NO2S and a molecular weight of 241.30 g/mol. Its IUPAC name is N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide
PubChem CID130218626
Molecular FormulaC9H17F2NO2S
Molecular Weight241.30 g/mol
Exact Mass241.09
IUPAC NameN-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)C1CC(F)(F)C1
InChIInChI=1S/C9H17F2NO2S/c1-4-12(7(2)3)15(13,14)8-5-9(10,11)6-8/h7-8H,4-6H2,1-3H3
InChIKeyBTVRHFHYLAUQAF-UHFFFAOYSA-N
XLogP1.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,2,2,3,3,4,4,4-nonafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide
CID 101221539
1,1-difluoro-N,N-di(propan-2-yl)ethanesulfonamide
CID 58122765
1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)butane-1-sulfonamide
CID 88916715
N,N-dibutyl-2,2,2-trifluoroethanesulfonamide
CID 89281446
N-butyl-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 89281508
N-butyl-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide
CID 89281513
N-butyl-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide
CID 89281517
N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide
CID 89281546
N,N-dibutyl-3,3,3-trifluoropropane-1-sulfonamide
CID 89281547
N-butyl-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 89281551
N,N-dibutyl-4,4,4-trifluorobutane-1-sulfonamide
CID 89281588
1,1,2,2,3,3-hexafluoro-N,N-di(propan-2-yl)propane-1-sulfonamide
CID 126638182

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide?
The IUPAC name of N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide (CID 130218626) is N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide.
What is the SMILES notation for N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide?
The canonical SMILES for N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide is CCN(C(C)C)S(=O)(=O)C1CC(F)(F)C1.
What is the InChIKey of N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide?
The InChIKey is BTVRHFHYLAUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2S/c1-4-12(7(2)3)15(13,14)8-5-9(10,11)6-8/h7-8H,4-6H2,1-3H3.
What are the key properties of N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide?
N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide has a molecular weight of 241.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-difluoro-N-propan-2-ylcyclobutane-1-sulfonamide is sourced from PubChem (CID 130218626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).