N-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine

C5H12F3NO4S — CID 143634981

IUPACN-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine
SMILESCOC(CNS(O)(O)C(F)(F)F)OC
InChIInChI=1S/C5H12F3NO4S/c1-12-4(13-2)3-9-14(10,11)5(6,7)8/h4,9-11H,3H2,1-2H3
InChIKeyJYNQVPOJNFBGFO-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.38
Rot. Bonds5

About N-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine

N-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine (PubChem CID 143634981) has the molecular formula C5H12F3NO4S and a molecular weight of 239.22 g/mol. Its IUPAC name is N-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine
PubChem CID143634981
Molecular FormulaC5H12F3NO4S
Molecular Weight239.22 g/mol
Exact Mass239.04
IUPAC NameN-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine
SMILESCOC(CNS(O)(O)C(F)(F)F)OC
InChIInChI=1S/C5H12F3NO4S/c1-12-4(13-2)3-9-14(10,11)5(6,7)8/h4,9-11H,3H2,1-2H3
InChIKeyJYNQVPOJNFBGFO-UHFFFAOYSA-N
XLogP1.38
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine (CID 143634981) is N-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine is COC(CNS(O)(O)C(F)(F)F)OC.
What is the InChIKey of N-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine?
The InChIKey is JYNQVPOJNFBGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F3NO4S/c1-12-4(13-2)3-9-14(10,11)5(6,7)8/h4,9-11H,3H2,1-2H3.
What are the key properties of N-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine?
N-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine has a molecular weight of 239.22 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(trifluoromethyl)-λ4-sulfanyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 143634981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).