N-ethyl-2,2-difluoro-2-methylsulfonylethanamine

C5H11F2NO2S — CID 83108570

IUPACN-ethyl-2,2-difluoro-2-methylsulfonylethanamine
SMILESCCNCC(F)(F)S(C)(=O)=O
InChIInChI=1S/C5H11F2NO2S/c1-3-8-4-5(6,7)11(2,9)10/h8H,3-4H2,1-2H3
InChIKeyQKJYIQCINOMFTF-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.23
Rot. Bonds4

About N-ethyl-2,2-difluoro-2-methylsulfonylethanamine

N-ethyl-2,2-difluoro-2-methylsulfonylethanamine (PubChem CID 83108570) has the molecular formula C5H11F2NO2S and a molecular weight of 187.21 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-2-methylsulfonylethanamine
PubChem CID83108570
Molecular FormulaC5H11F2NO2S
Molecular Weight187.21 g/mol
Exact Mass187.05
IUPAC NameN-ethyl-2,2-difluoro-2-methylsulfonylethanamine
SMILESCCNCC(F)(F)S(C)(=O)=O
InChIInChI=1S/C5H11F2NO2S/c1-3-8-4-5(6,7)11(2,9)10/h8H,3-4H2,1-2H3
InChIKeyQKJYIQCINOMFTF-UHFFFAOYSA-N
XLogP0.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,2,2-trifluoroethanamine
CID 12769779
N-ethyl-2,2-difluoro-2-iodoethanamine
CID 129161141
N,2,2-triethyl-4-methylsulfonylbutan-1-amine
CID 62723454
trifluoro(methylsulfonyl)methane
CID 11215049
N-ethyl-4-ethylsulfonyl-2,2-dimethylbutan-1-amine
CID 62724123
N,2,2-triethyl-5-methylsulfonylpentan-1-amine
CID 63196072
(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 146248092
N-ethylethanamine;sulfuryl dichloride
CID 174619621
1-(ethylamino)-2,3,3-trimethylbutan-2-ol
CID 80559205
(2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine
CID 155370446
1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane
CID 87625513
N-methyl-2-methylsulfonyl-2-propylpentan-1-amine
CID 62595292

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-2-methylsulfonylethanamine?
The IUPAC name of N-ethyl-2,2-difluoro-2-methylsulfonylethanamine (CID 83108570) is N-ethyl-2,2-difluoro-2-methylsulfonylethanamine.
What is the SMILES notation for N-ethyl-2,2-difluoro-2-methylsulfonylethanamine?
The canonical SMILES for N-ethyl-2,2-difluoro-2-methylsulfonylethanamine is CCNCC(F)(F)S(C)(=O)=O.
What is the InChIKey of N-ethyl-2,2-difluoro-2-methylsulfonylethanamine?
The InChIKey is QKJYIQCINOMFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO2S/c1-3-8-4-5(6,7)11(2,9)10/h8H,3-4H2,1-2H3.
What are the key properties of N-ethyl-2,2-difluoro-2-methylsulfonylethanamine?
N-ethyl-2,2-difluoro-2-methylsulfonylethanamine has a molecular weight of 187.21 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-2-methylsulfonylethanamine is sourced from PubChem (CID 83108570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).