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

C6H7F3N2OS — CID 106921809

IUPAC3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
SMILESNCC(Sc1ncco1)C(F)(F)F
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)4(3-10)13-5-11-1-2-12-5/h1-2,4H,3,10H2
InChIKeyUDLGKCPNKRSNRR-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.66
Rot. Bonds3

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

3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine (PubChem CID 106921809) has the molecular formula C6H7F3N2OS and a molecular weight of 212.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
PubChem CID106921809
Molecular FormulaC6H7F3N2OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Name3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
SMILESNCC(Sc1ncco1)C(F)(F)F
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)4(3-10)13-5-11-1-2-12-5/h1-2,4H,3,10H2
InChIKeyUDLGKCPNKRSNRR-UHFFFAOYSA-N
XLogP1.66
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.66
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-ylsulfanyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine (CID 106921809) is 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine is NCC(Sc1ncco1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
The InChIKey is UDLGKCPNKRSNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS/c7-6(8,9)4(3-10)13-5-11-1-2-12-5/h1-2,4H,3,10H2.
What are the key properties of 3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
3,3,3-trifluoro-2-(1,3-oxazol-2-ylsulfanyl)propan-1-amine has a molecular weight of 212.20 g/mol, XLogP of 1.66, 3 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-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 106921809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).