imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol

C8H11F6N3OS — CID 159584729

IUPACimino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol
SMILESCC(O)c1nccn1C.[H]N=S(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H10N2O.C2HF6NS/c1-5(9)6-7-3-4-8(6)2;3-1(4,5)10(9)2(6,7)8/h3-5,9H,1-2H3;9H
InChIKeyMJLVEROQBMNYSL-UHFFFAOYSA-N
MW311.25 g/mol
LogP2.88
Rot. Bonds1

About imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol

imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol (PubChem CID 159584729) has the molecular formula C8H11F6N3OS and a molecular weight of 311.25 g/mol. Its IUPAC name is imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Nameimino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol
PubChem CID159584729
Molecular FormulaC8H11F6N3OS
Molecular Weight311.25 g/mol
Exact Mass311.05
IUPAC Nameimino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol
SMILESCC(O)c1nccn1C.[H]N=S(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H10N2O.C2HF6NS/c1-5(9)6-7-3-4-8(6)2;3-1(4,5)10(9)2(6,7)8/h3-5,9H,1-2H3;9H
InChIKeyMJLVEROQBMNYSL-UHFFFAOYSA-N
XLogP2.88
TPSA61.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol (CID 159584729) is imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol is CC(O)c1nccn1C.[H]N=S(C(F)(F)F)C(F)(F)F.
What is the InChIKey of imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol?
The InChIKey is MJLVEROQBMNYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.C2HF6NS/c1-5(9)6-7-3-4-8(6)2;3-1(4,5)10(9)2(6,7)8/h3-5,9H,1-2H3;9H.
What are the key properties of imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol?
imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol has a molecular weight of 311.25 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imino-bis(trifluoromethyl)-λ4-sulfane;1-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 159584729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).