N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide

C7H12F2N2O2 — CID 176856933

IUPACN-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide
SMILESN[C@@H]1CCOC[C@H]1NC(=O)C(F)F
InChIInChI=1S/C7H12F2N2O2/c8-6(9)7(12)11-5-3-13-2-1-4(5)10/h4-6H,1-3,10H2,(H,11,12)/t4-,5-/m1/s1
InChIKeyVKWSCMXECHZWRW-RFZPGFLSSA-N
MW194.18 g/mol
LogP-0.52
Rot. Bonds2

About N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide

N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide (PubChem CID 176856933) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide
PubChem CID176856933
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC NameN-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide
SMILESN[C@@H]1CCOC[C@H]1NC(=O)C(F)F
InChIInChI=1S/C7H12F2N2O2/c8-6(9)7(12)11-5-3-13-2-1-4(5)10/h4-6H,1-3,10H2,(H,11,12)/t4-,5-/m1/s1
InChIKeyVKWSCMXECHZWRW-RFZPGFLSSA-N
XLogP-0.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-(oxan-4-yl)acetamide
CID 62728421
2,2,2-trifluoro-N-(morpholin-3-ylmethyl)acetamide
CID 103548592
2,2,2-trifluoro-N-(5-methoxypiperidin-3-yl)acetamide
CID 122702776
[(3S,4R)-3-(2,2,2-trifluoroethylamino)oxan-4-yl]carbamic acid
CID 138597978
(3S,4R)-3-N-(2,2,2-trifluoroethyl)oxane-3,4-diamine;hydrochloride
CID 138598368
N-[difluoro-(2-fluoromorpholin-3-yl)methyl]acetamide
CID 140475973
3-N-(2,2,2-trifluoroethyl)oxane-3,4-diamine;hydrochloride
CID 141660084
2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492332
N-(oxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 63099537
N-(oxan-4-yl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226083
2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 63363901
2,2,2-trifluoro-N-(oxan-3-yl)acetamide
CID 63613759

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide (CID 176856933) is N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide is N[C@@H]1CCOC[C@H]1NC(=O)C(F)F.
What is the InChIKey of N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide?
The InChIKey is VKWSCMXECHZWRW-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c8-6(9)7(12)11-5-3-13-2-1-4(5)10/h4-6H,1-3,10H2,(H,11,12)/t4-,5-/m1/s1.
What are the key properties of N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide?
N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide has a molecular weight of 194.18 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-aminooxan-3-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 176856933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).