ethanamine;imino-bis(trifluoromethyl)-λ4-sulfane

C4H8F6N2S — CID 159775311

IUPACethanamine;imino-bis(trifluoromethyl)-λ4-sulfane
SMILESCCN.[H]N=S(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2HF6NS.C2H7N/c3-1(4,5)10(9)2(6,7)8;1-2-3/h9H;2-3H2,1H3
InChIKeyNGQSPSDOMCVSOX-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.37
Rot. Bonds

About ethanamine;imino-bis(trifluoromethyl)-λ4-sulfane

ethanamine;imino-bis(trifluoromethyl)-λ4-sulfane (PubChem CID 159775311) has the molecular formula C4H8F6N2S and a molecular weight of 230.18 g/mol. Its IUPAC name is ethanamine;imino-bis(trifluoromethyl)-λ4-sulfane.

Molecular Properties

Compound Nameethanamine;imino-bis(trifluoromethyl)-λ4-sulfane
PubChem CID159775311
Molecular FormulaC4H8F6N2S
Molecular Weight230.18 g/mol
Exact Mass230.03
IUPAC Nameethanamine;imino-bis(trifluoromethyl)-λ4-sulfane
SMILESCCN.[H]N=S(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C2HF6NS.C2H7N/c3-1(4,5)10(9)2(6,7)8;1-2-3/h9H;2-3H2,1H3
InChIKeyNGQSPSDOMCVSOX-UHFFFAOYSA-N
XLogP2.37
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanamine;imino-bis(trifluoromethyl)-λ4-sulfane?
The IUPAC name of ethanamine;imino-bis(trifluoromethyl)-λ4-sulfane (CID 159775311) is ethanamine;imino-bis(trifluoromethyl)-λ4-sulfane.
What is the SMILES notation for ethanamine;imino-bis(trifluoromethyl)-λ4-sulfane?
The canonical SMILES for ethanamine;imino-bis(trifluoromethyl)-λ4-sulfane is CCN.[H]N=S(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethanamine;imino-bis(trifluoromethyl)-λ4-sulfane?
The InChIKey is NGQSPSDOMCVSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF6NS.C2H7N/c3-1(4,5)10(9)2(6,7)8;1-2-3/h9H;2-3H2,1H3.
What are the key properties of ethanamine;imino-bis(trifluoromethyl)-λ4-sulfane?
ethanamine;imino-bis(trifluoromethyl)-λ4-sulfane has a molecular weight of 230.18 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;imino-bis(trifluoromethyl)-λ4-sulfane is sourced from PubChem (CID 159775311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).