(2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine

C13H18F2N2O2 — CID 97116354

IUPAC(2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine
SMILESC[C@@H]1OCC[C@@H]1NCc1ccnc(OCC(F)F)c1
InChIInChI=1S/C13H18F2N2O2/c1-9-11(3-5-18-9)17-7-10-2-4-16-13(6-10)19-8-12(14)15/h2,4,6,9,11-12,17H,3,5,7-8H2,1H3/t9-,11-/m0/s1
InChIKeyUABMYZZZDSPKFA-ONGXEEELSA-N
MW272.30 g/mol
LogP1.99
Rot. Bonds6

About (2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine

(2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine (PubChem CID 97116354) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine
PubChem CID97116354
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name(2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine
SMILESC[C@@H]1OCC[C@@H]1NCc1ccnc(OCC(F)F)c1
InChIInChI=1S/C13H18F2N2O2/c1-9-11(3-5-18-9)17-7-10-2-4-16-13(6-10)19-8-12(14)15/h2,4,6,9,11-12,17H,3,5,7-8H2,1H3/t9-,11-/m0/s1
InChIKeyUABMYZZZDSPKFA-ONGXEEELSA-N
XLogP1.99
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine?
The IUPAC name of (2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine (CID 97116354) is (2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for (2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine?
The canonical SMILES for (2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine is C[C@@H]1OCC[C@@H]1NCc1ccnc(OCC(F)F)c1.
What is the InChIKey of (2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine?
The InChIKey is UABMYZZZDSPKFA-ONGXEEELSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-9-11(3-5-18-9)17-7-10-2-4-16-13(6-10)19-8-12(14)15/h2,4,6,9,11-12,17H,3,5,7-8H2,1H3/t9-,11-/m0/s1.
What are the key properties of (2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine?
(2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine has a molecular weight of 272.30 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[[2-(2,2-difluoroethoxy)-4-pyridinyl]methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 97116354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).