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

C6H7F3N2O — CID 82409262

IUPAC3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1ncco1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)3-4(10)5-11-1-2-12-5/h1-2,4H,3,10H2
InChIKeyNWXRKNALEACPSK-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.63
Rot. Bonds2

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

3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine (PubChem CID 82409262) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine
PubChem CID82409262
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1ncco1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)3-4(10)5-11-1-2-12-5/h1-2,4H,3,10H2
InChIKeyNWXRKNALEACPSK-UHFFFAOYSA-N
XLogP1.63
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine (CID 82409262) is 3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine is NC(CC(F)(F)F)c1ncco1.
What is the InChIKey of 3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine?
The InChIKey is NWXRKNALEACPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)3-4(10)5-11-1-2-12-5/h1-2,4H,3,10H2.
What are the key properties of 3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine?
3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine has a molecular weight of 180.13 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(1,3-oxazol-2-yl)propan-1-amine is sourced from PubChem (CID 82409262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).