3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine

C11H14F2N2O — CID 66937129

IUPAC3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESFc1ccc(F)c(NCC2CCOCC2)n1
InChIInChI=1S/C11H14F2N2O/c12-9-1-2-10(13)15-11(9)14-7-8-3-5-16-6-4-8/h1-2,8H,3-7H2,(H,14,15)
InChIKeyVSUWTIUGGWFTDN-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.20
Rot. Bonds3

About 3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine

3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 66937129) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID66937129
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESFc1ccc(F)c(NCC2CCOCC2)n1
InChIInChI=1S/C11H14F2N2O/c12-9-1-2-10(13)15-11(9)14-7-8-3-5-16-6-4-8/h1-2,8H,3-7H2,(H,14,15)
InChIKeyVSUWTIUGGWFTDN-UHFFFAOYSA-N
XLogP2.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 66937129) is 3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine is Fc1ccc(F)c(NCC2CCOCC2)n1.
What is the InChIKey of 3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is VSUWTIUGGWFTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-9-1-2-10(13)15-11(9)14-7-8-3-5-16-6-4-8/h1-2,8H,3-7H2,(H,14,15).
What are the key properties of 3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine?
3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 228.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 66937129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).