(2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C11H20F2N2O2 — CID 97329607

IUPAC(2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)CC(F)F
InChIInChI=1S/C11H20F2N2O2/c1-8(15(2)7-10(12)13)11(16)14-6-9-4-3-5-17-9/h8-10H,3-7H2,1-2H3,(H,14,16)/t8-,9-/m0/s1
InChIKeyCXEBQDPENDICCZ-IUCAKERBSA-N
MW250.29 g/mol
LogP0.87
Rot. Bonds6

About (2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 97329607) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID97329607
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name(2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)CC(F)F
InChIInChI=1S/C11H20F2N2O2/c1-8(15(2)7-10(12)13)11(16)14-6-9-4-3-5-17-9/h8-10H,3-7H2,1-2H3,(H,14,16)/t8-,9-/m0/s1
InChIKeyCXEBQDPENDICCZ-IUCAKERBSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 97329607) is (2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)CC(F)F.
What is the InChIKey of (2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is CXEBQDPENDICCZ-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-8(15(2)7-10(12)13)11(16)14-6-9-4-3-5-17-9/h8-10H,3-7H2,1-2H3,(H,14,16)/t8-,9-/m0/s1.
What are the key properties of (2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 250.29 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2,2-difluoroethyl(methyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 97329607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).