2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide

C9H15F2NO2 — CID 137472432

IUPAC2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide
SMILESCC1CCOC[C@@H]1NC(=O)C(C)(F)F
InChIInChI=1S/C9H15F2NO2/c1-6-3-4-14-5-7(6)12-8(13)9(2,10)11/h6-7H,3-5H2,1-2H3,(H,12,13)/t6?,7-/m0/s1
InChIKeyNGJZUOIVVRDFAZ-MLWJPKLSSA-N
MW207.22 g/mol
LogP1.18
Rot. Bonds2

About 2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide

2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide (PubChem CID 137472432) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide
PubChem CID137472432
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide
SMILESCC1CCOC[C@@H]1NC(=O)C(C)(F)F
InChIInChI=1S/C9H15F2NO2/c1-6-3-4-14-5-7(6)12-8(13)9(2,10)11/h6-7H,3-5H2,1-2H3,(H,12,13)/t6?,7-/m0/s1
InChIKeyNGJZUOIVVRDFAZ-MLWJPKLSSA-N
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]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 2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide (CID 137472432) is 2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide is CC1CCOC[C@@H]1NC(=O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide?
The InChIKey is NGJZUOIVVRDFAZ-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-6-3-4-14-5-7(6)12-8(13)9(2,10)11/h6-7H,3-5H2,1-2H3,(H,12,13)/t6?,7-/m0/s1.
What are the key properties of 2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide?
2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide has a molecular weight of 207.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide is sourced from PubChem (CID 137472432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).