1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine

C11H11F3N2O — CID 84704388

IUPAC1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine
SMILESCC(N)Cc1ccc2oc(C(F)(F)F)nc2c1
InChIInChI=1S/C11H11F3N2O/c1-6(15)4-7-2-3-9-8(5-7)16-10(17-9)11(12,13)14/h2-3,5-6H,4,15H2,1H3
InChIKeyFKJAIKPOCNFRNQ-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.74
Rot. Bonds2

About 1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine

1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine (PubChem CID 84704388) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine
PubChem CID84704388
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine
SMILESCC(N)Cc1ccc2oc(C(F)(F)F)nc2c1
InChIInChI=1S/C11H11F3N2O/c1-6(15)4-7-2-3-9-8(5-7)16-10(17-9)11(12,13)14/h2-3,5-6H,4,15H2,1H3
InChIKeyFKJAIKPOCNFRNQ-UHFFFAOYSA-N
XLogP2.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine (CID 84704388) is 1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine is CC(N)Cc1ccc2oc(C(F)(F)F)nc2c1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine?
The InChIKey is FKJAIKPOCNFRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-6(15)4-7-2-3-9-8(5-7)16-10(17-9)11(12,13)14/h2-3,5-6H,4,15H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine?
1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine has a molecular weight of 244.22 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine is sourced from PubChem (CID 84704388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).