molecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine

C15H25F3N2O — CID 164926953

IUPACmolecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine
SMILESC1CCOC1.CC(C)c1cccc(CNCC(F)(F)F)n1.[H][H]
InChIInChI=1S/C11H15F3N2.C4H8O.H2/c1-8(2)10-5-3-4-9(16-10)6-15-7-11(12,13)14;1-2-4-5-3-1;/h3-5,8,15H,6-7H2,1-2H3;1-4H2;1H
InChIKeyKBZOEFSSEGLJFY-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.90
Rot. Bonds4

About molecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine

molecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine (PubChem CID 164926953) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is molecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Namemolecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine
PubChem CID164926953
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Namemolecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine
SMILESC1CCOC1.CC(C)c1cccc(CNCC(F)(F)F)n1.[H][H]
InChIInChI=1S/C11H15F3N2.C4H8O.H2/c1-8(2)10-5-3-4-9(16-10)6-15-7-11(12,13)14;1-2-4-5-3-1;/h3-5,8,15H,6-7H2,1-2H3;1-4H2;1H
InChIKeyKBZOEFSSEGLJFY-UHFFFAOYSA-N
XLogP3.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of molecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine (CID 164926953) is molecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for molecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for molecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine is C1CCOC1.CC(C)c1cccc(CNCC(F)(F)F)n1.[H][H].
What is the InChIKey of molecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine?
The InChIKey is KBZOEFSSEGLJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2.C4H8O.H2/c1-8(2)10-5-3-4-9(16-10)6-15-7-11(12,13)14;1-2-4-5-3-1;/h3-5,8,15H,6-7H2,1-2H3;1-4H2;1H.
What are the key properties of molecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine?
molecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine has a molecular weight of 306.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;oxolane;2,2,2-trifluoro-N-[(6-propan-2-yl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 164926953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).