N-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine

C4H11F2NO2S — CID 150917291

IUPACN-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine
SMILESCCN(CC)S(=O)(O)(F)F
InChIInChI=1S/C4H11F2NO2S/c1-3-7(4-2)10(5,6,8)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyLDGSBBSPBZLVCL-UHFFFAOYSA-N
MW175.20 g/mol
LogP1.31
Rot. Bonds3

About N-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine

N-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine (PubChem CID 150917291) has the molecular formula C4H11F2NO2S and a molecular weight of 175.20 g/mol. Its IUPAC name is N-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine
PubChem CID150917291
Molecular FormulaC4H11F2NO2S
Molecular Weight175.20 g/mol
Exact Mass175.05
IUPAC NameN-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine
SMILESCCN(CC)S(=O)(O)(F)F
InChIInChI=1S/C4H11F2NO2S/c1-3-7(4-2)10(5,6,8)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyLDGSBBSPBZLVCL-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine?
The IUPAC name of N-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine (CID 150917291) is N-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine.
What is the SMILES notation for N-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine?
The canonical SMILES for N-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine is CCN(CC)S(=O)(O)(F)F.
What is the InChIKey of N-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine?
The InChIKey is LDGSBBSPBZLVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11F2NO2S/c1-3-7(4-2)10(5,6,8)9/h3-4H2,1-2H3,(H,8,9).
What are the key properties of N-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine?
N-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine has a molecular weight of 175.20 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoro-hydroxy-oxo-λ6-sulfanyl)-N-ethylethanamine is sourced from PubChem (CID 150917291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).