2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine

C11H11F3N2O — CID 79258276

IUPAC2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine
SMILESCc1cccc2oc(CNCC(F)(F)F)nc12
InChIInChI=1S/C11H11F3N2O/c1-7-3-2-4-8-10(7)16-9(17-8)5-15-6-11(12,13)14/h2-4,15H,5-6H2,1H3
InChIKeyHYCGADYLWVARJW-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.79
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine (PubChem CID 79258276) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine
PubChem CID79258276
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine
SMILESCc1cccc2oc(CNCC(F)(F)F)nc12
InChIInChI=1S/C11H11F3N2O/c1-7-3-2-4-8-10(7)16-9(17-8)5-15-6-11(12,13)14/h2-4,15H,5-6H2,1H3
InChIKeyHYCGADYLWVARJW-UHFFFAOYSA-N
XLogP2.79
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine (CID 79258276) is 2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine is Cc1cccc2oc(CNCC(F)(F)F)nc12.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine?
The InChIKey is HYCGADYLWVARJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-7-3-2-4-8-10(7)16-9(17-8)5-15-6-11(12,13)14/h2-4,15H,5-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine has a molecular weight of 244.22 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 79258276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).