6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine

C12H19F3N2O — CID 104928143

IUPAC6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine
SMILESCc1cnc(C(C)NC(C)CCCC(F)(F)F)o1
InChIInChI=1S/C12H19F3N2O/c1-8(5-4-6-12(13,14)15)17-10(3)11-16-7-9(2)18-11/h7-8,10,17H,4-6H2,1-3H3
InChIKeyXYDBFVFXAYYBGO-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.75
Rot. Bonds6

About 6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine

6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine (PubChem CID 104928143) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine
PubChem CID104928143
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine
SMILESCc1cnc(C(C)NC(C)CCCC(F)(F)F)o1
InChIInChI=1S/C12H19F3N2O/c1-8(5-4-6-12(13,14)15)17-10(3)11-16-7-9(2)18-11/h7-8,10,17H,4-6H2,1-3H3
InChIKeyXYDBFVFXAYYBGO-UHFFFAOYSA-N
XLogP3.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine (CID 104928143) is 6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine is Cc1cnc(C(C)NC(C)CCCC(F)(F)F)o1.
What is the InChIKey of 6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine?
The InChIKey is XYDBFVFXAYYBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-8(5-4-6-12(13,14)15)17-10(3)11-16-7-9(2)18-11/h7-8,10,17H,4-6H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine?
6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine has a molecular weight of 264.29 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 104928143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).