3,3-difluorooxan-4-amine

C5H9F2NO — CID 135325001

IUPAC3,3-difluorooxan-4-amine
SMILESNC1CCOCC1(F)F
InChIInChI=1S/C5H9F2NO/c6-5(7)3-9-2-1-4(5)8/h4H,1-3,8H2
InChIKeyXUIYCWZNYHOCAI-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.37
Rot. Bonds

About 3,3-difluorooxan-4-amine

3,3-difluorooxan-4-amine (PubChem CID 135325001) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 3,3-difluorooxan-4-amine.

Molecular Properties

Compound Name3,3-difluorooxan-4-amine
PubChem CID135325001
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name3,3-difluorooxan-4-amine
SMILESNC1CCOCC1(F)F
InChIInChI=1S/C5H9F2NO/c6-5(7)3-9-2-1-4(5)8/h4H,1-3,8H2
InChIKeyXUIYCWZNYHOCAI-UHFFFAOYSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-difluorooxan-4-amine 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 3,3-difluorooxan-4-amine?
The IUPAC name of 3,3-difluorooxan-4-amine (CID 135325001) is 3,3-difluorooxan-4-amine.
What is the SMILES notation for 3,3-difluorooxan-4-amine?
The canonical SMILES for 3,3-difluorooxan-4-amine is NC1CCOCC1(F)F.
What is the InChIKey of 3,3-difluorooxan-4-amine?
The InChIKey is XUIYCWZNYHOCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)3-9-2-1-4(5)8/h4H,1-3,8H2.
What are the key properties of 3,3-difluorooxan-4-amine?
3,3-difluorooxan-4-amine has a molecular weight of 137.13 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorooxan-4-amine is sourced from PubChem (CID 135325001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).