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

C5H12F3NO2S — CID 170709283

IUPACN-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]propan-2-amine
SMILESCC(C)NS(O)(O)CC(F)(F)F
InChIInChI=1S/C5H12F3NO2S/c1-4(2)9-12(10,11)3-5(6,7)8/h4,9-11H,3H2,1-2H3
InChIKeyVTKQVLXSMCRQMB-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.21
Rot. Bonds3

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

N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]propan-2-amine (PubChem CID 170709283) has the molecular formula C5H12F3NO2S and a molecular weight of 207.22 g/mol. Its IUPAC name is N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]propan-2-amine.

Molecular Properties

Compound NameN-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]propan-2-amine
PubChem CID170709283
Molecular FormulaC5H12F3NO2S
Molecular Weight207.22 g/mol
Exact Mass207.05
IUPAC NameN-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]propan-2-amine
SMILESCC(C)NS(O)(O)CC(F)(F)F
InChIInChI=1S/C5H12F3NO2S/c1-4(2)9-12(10,11)3-5(6,7)8/h4,9-11H,3H2,1-2H3
InChIKeyVTKQVLXSMCRQMB-UHFFFAOYSA-N
XLogP2.21
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.21
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]propan-2-amine?
The IUPAC name of N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]propan-2-amine (CID 170709283) is N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]propan-2-amine.
What is the SMILES notation for N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]propan-2-amine?
The canonical SMILES for N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]propan-2-amine is CC(C)NS(O)(O)CC(F)(F)F.
What is the InChIKey of N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]propan-2-amine?
The InChIKey is VTKQVLXSMCRQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F3NO2S/c1-4(2)9-12(10,11)3-5(6,7)8/h4,9-11H,3H2,1-2H3.
What are the key properties of N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]propan-2-amine?
N-[dihydroxy(2,2,2-trifluoroethyl)-λ4-sulfanyl]propan-2-amine has a molecular weight of 207.22 g/mol, XLogP of 2.21, 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]propan-2-amine is sourced from PubChem (CID 170709283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).