3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine

C7H9F3N2OS — CID 106923828

IUPAC3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine
SMILESNCC(CSc1ncco1)C(F)(F)F
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)5(3-11)4-14-6-12-1-2-13-6/h1-2,5H,3-4,11H2
InChIKeyABGHIRRDMUQEOL-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.90
Rot. Bonds4

About 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine

3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine (PubChem CID 106923828) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine
PubChem CID106923828
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine
SMILESNCC(CSc1ncco1)C(F)(F)F
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)5(3-11)4-14-6-12-1-2-13-6/h1-2,5H,3-4,11H2
InChIKeyABGHIRRDMUQEOL-UHFFFAOYSA-N
XLogP1.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine (CID 106923828) is 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine is NCC(CSc1ncco1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine?
The InChIKey is ABGHIRRDMUQEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c8-7(9,10)5(3-11)4-14-6-12-1-2-13-6/h1-2,5H,3-4,11H2.
What are the key properties of 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine?
3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine has a molecular weight of 226.22 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propan-1-amine is sourced from PubChem (CID 106923828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).