2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine

C5H11F2NO2S — CID 60922396

IUPAC2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCNCC(F)F
InChIInChI=1S/C5H11F2NO2S/c1-11(9,10)3-2-8-4-5(6)7/h5,8H,2-4H2,1H3
InChIKeyAKHJHIDMIXHVMX-UHFFFAOYSA-N
MW187.21 g/mol
LogP-0.11
Rot. Bonds5

About 2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine

2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine (PubChem CID 60922396) has the molecular formula C5H11F2NO2S and a molecular weight of 187.21 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine
PubChem CID60922396
Molecular FormulaC5H11F2NO2S
Molecular Weight187.21 g/mol
Exact Mass187.05
IUPAC Name2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine
SMILESCS(=O)(=O)CCNCC(F)F
InChIInChI=1S/C5H11F2NO2S/c1-11(9,10)3-2-8-4-5(6)7/h5,8H,2-4H2,1H3
InChIKeyAKHJHIDMIXHVMX-UHFFFAOYSA-N
XLogP-0.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 3856040
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CID 14677075
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CID 58685127
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CID 79006887
CID 79006887
CID 86696811
CID 86696811
CID 86696859
CID 86696859
CID 88547157
CID 88547157
CID 140591681
CID 140591681
CID 155411068
CID 155411068
CID 155411070
CID 155411070
CID 156741697
CID 156741697

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine (CID 60922396) is 2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine is CS(=O)(=O)CCNCC(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine?
The InChIKey is AKHJHIDMIXHVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO2S/c1-11(9,10)3-2-8-4-5(6)7/h5,8H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine?
2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine has a molecular weight of 187.21 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methylsulfonylethyl)ethanamine is sourced from PubChem (CID 60922396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).