N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine

C8H20F2N2S — CID 14203340

IUPACN-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine
SMILESCCN(CC)S(F)(F)N(CC)CC
InChIInChI=1S/C8H20F2N2S/c1-5-11(6-2)13(9,10)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyLIUZBZJUDLPOPX-UHFFFAOYSA-N
MW214.32 g/mol
LogP3.07
Rot. Bonds6

About N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine

N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine (PubChem CID 14203340) has the molecular formula C8H20F2N2S and a molecular weight of 214.32 g/mol. Its IUPAC name is N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine
PubChem CID14203340
Molecular FormulaC8H20F2N2S
Molecular Weight214.32 g/mol
Exact Mass214.13
IUPAC NameN-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine
SMILESCCN(CC)S(F)(F)N(CC)CC
InChIInChI=1S/C8H20F2N2S/c1-5-11(6-2)13(9,10)12(7-3)8-4/h5-8H2,1-4H3
InChIKeyLIUZBZJUDLPOPX-UHFFFAOYSA-N
XLogP3.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine (CID 14203340) is N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine is CCN(CC)S(F)(F)N(CC)CC.
What is the InChIKey of N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine?
The InChIKey is LIUZBZJUDLPOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20F2N2S/c1-5-11(6-2)13(9,10)12(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine?
N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine has a molecular weight of 214.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino(difluoro)-lambda4-sulfanyl]-N-ethylethanamine is sourced from PubChem (CID 14203340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).