N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine

C4H10F3NO2S — CID 170709289

IUPACN-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine
SMILESCCNS(O)(O)CC(F)(F)F
InChIInChI=1S/C4H10F3NO2S/c1-2-8-11(9,10)3-4(5,6)7/h8-10H,2-3H2,1H3
InChIKeyCEDGVTNFVZDHFH-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.82
Rot. Bonds3

About N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine

N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine (PubChem CID 170709289) has the molecular formula C4H10F3NO2S and a molecular weight of 193.19 g/mol. Its IUPAC name is N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine.

Molecular Properties

Compound NameN-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine
PubChem CID170709289
Molecular FormulaC4H10F3NO2S
Molecular Weight193.19 g/mol
Exact Mass193.04
IUPAC NameN-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine
SMILESCCNS(O)(O)CC(F)(F)F
InChIInChI=1S/C4H10F3NO2S/c1-2-8-11(9,10)3-4(5,6)7/h8-10H,2-3H2,1H3
InChIKeyCEDGVTNFVZDHFH-UHFFFAOYSA-N
XLogP1.82
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine?
The IUPAC name of N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine (CID 170709289) is N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine.
What is the SMILES notation for N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine?
The canonical SMILES for N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine is CCNS(O)(O)CC(F)(F)F.
What is the InChIKey of N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine?
The InChIKey is CEDGVTNFVZDHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F3NO2S/c1-2-8-11(9,10)3-4(5,6)7/h8-10H,2-3H2,1H3.
What are the key properties of N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine?
N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine has a molecular weight of 193.19 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]ethanamine is sourced from PubChem (CID 170709289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).