4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine

C11H13F3N2O — CID 126763846

IUPAC4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine
SMILESNC1(c2ccc(C(F)(F)F)cn2)CCOCC1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-9(16-7-8)10(15)3-5-17-6-4-10/h1-2,7H,3-6,15H2
InChIKeyNNMIZPCGMNDQGE-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.06
Rot. Bonds1

About 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine

4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine (PubChem CID 126763846) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine
PubChem CID126763846
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine
SMILESNC1(c2ccc(C(F)(F)F)cn2)CCOCC1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-9(16-7-8)10(15)3-5-17-6-4-10/h1-2,7H,3-6,15H2
InChIKeyNNMIZPCGMNDQGE-UHFFFAOYSA-N
XLogP2.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine?
The IUPAC name of 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine (CID 126763846) is 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine.
What is the SMILES notation for 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine?
The canonical SMILES for 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine is NC1(c2ccc(C(F)(F)F)cn2)CCOCC1.
What is the InChIKey of 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine?
The InChIKey is NNMIZPCGMNDQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-9(16-7-8)10(15)3-5-17-6-4-10/h1-2,7H,3-6,15H2.
What are the key properties of 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine?
4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine has a molecular weight of 246.23 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-amine is sourced from PubChem (CID 126763846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).